C1CC1COC2=C(C=CC(=N2)C(=O)O)N3CC(C3)(F)F
이름: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
SMILES: C1CC1COC2=C(C=CC(=N2)C(=O)O)N3CC(C3)(F)F

Molecular Processing

Molecular formula
C13H14F2N2O3
Molecular weight
284.26
Exact mass
284.0972
XLogP
2.02
TPSA
62.66
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
66.58

Supplementary Information

InChIKey: XBIFXIZBKZGCDC-UHFFFAOYSA-N
동의어
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)picolinic acidSCHEMBL141517136-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid6-cyclopropylmethyloxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid
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