O=C(O)CCCCc1ccncc1
CAS: 88940-70-9
Name: 5-pyridin-4-ylpentanoic acid
SMILES: O=C(O)CCCCc1ccncc1

Molecular Processing

Molecular formula
C10H13NO2
Molecular weight
179.22
Exact mass
179.0946
XLogP
1.88
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
49.43

Supplementary Information

InChIKey: DFTPIBFPPYDWEC-UHFFFAOYSA-N
Synonyme
88940-70-95-(4-pyridyl)pentanoic acid4-Pyridinepentanoic acid5-(PYRIDIN-4-YL)PENTANOIC ACID5-pyridin-4-ylpentanoic Acid5-(4-Pyridyl)pentanoicacidCHEMBL5437274-pyridinevaleric acid5-(4-pyridyl)valeric acidSCHEMBL1677606CHEMBL1192486DTXSID70457547DFTPIBFPPYDWEC-UHFFFAOYSA-NBDBM50028770MFCD19704615AT26198PS-19523SY323608DB-138764CS-03102425-Pyridin-4-yl-pentanoic acid; hydrochlorideF846066
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