3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid

C13H10ClFN2O2 — CID 107061814

IUPAC3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2ccccc2F)c1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-11-9(13(18)19)5-6-16-12(11)17-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyMCWZQHFIPBGTCB-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.18
Rot. Bonds4

About 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107061814) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID107061814
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2ccccc2F)c1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-11-9(13(18)19)5-6-16-12(11)17-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyMCWZQHFIPBGTCB-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanylacetic acid
CID 95916166
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid (CID 107061814) is 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2ccccc2F)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is MCWZQHFIPBGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-11-9(13(18)19)5-6-16-12(11)17-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).