C1=C(C=NC(=C1Br)Cl)C(=O)O
CAS: 29241-62-1
Name: 5-bromo-6-chloropyridine-3-carboxylic acid
SMILES: C1=C(C=NC(=C1Br)Cl)C(=O)O

Molecular Processing

Molecular formula
C6H3BrClNO2
Molecular weight
236.45
Exact mass
234.9036
XLogP
2.2
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.91

Supplementary Information

InChIKey: DXEUARPQHJXMII-UHFFFAOYSA-N
Synonyme
5-bromo-6-chloropyridine-3-carboxylic acidRefChem:533812681-683-85-bromo-6-chloronicotinic acid29241-62-13-Pyridinecarboxylic acid, 5-bromo-6-chloro-MFCD019270985-bromo-6-chloro-nicotinic acid5-bromo-6-chloro-3-pyridinecarboxylic acidNSC-1423115-bromo-6-chloronicotinicacidNSC142311W97MD8T7UD3-BROMO-2-CHLOROPYRIDINE-5-CARBOXYLIC ACIDSCHEMBL439096orb29404126-Chloro-5-bromonicotinic AcidSCHEMBL29565006DTXSID90301311DXEUARPQHJXMII-UHFFFAOYSA-NNicotinic acid, 5-bromo-6-chloro-SBB053028TYD-00166AKOS005071440AB10529AC-2696CS-W002863HY-W002863SY002596B4355
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