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

C13H9ClF2N2O2 — CID 107061923

IUPAC3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H9ClF2N2O2/c14-11-9(13(19)20)3-4-17-12(11)18-6-7-1-2-8(15)5-10(7)16/h1-5H,6H2,(H,17,18)(H,19,20)
InChIKeyMLOVHXVIGYGFNC-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.32
Rot. Bonds4

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

3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107061923) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID107061923
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Name3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H9ClF2N2O2/c14-11-9(13(19)20)3-4-17-12(11)18-6-7-1-2-8(15)5-10(7)16/h1-5H,6H2,(H,17,18)(H,19,20)
InChIKeyMLOVHXVIGYGFNC-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(2,4-difluorophenyl)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-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid (CID 107061923) is 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is MLOVHXVIGYGFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c14-11-9(13(19)20)3-4-17-12(11)18-6-7-1-2-8(15)5-10(7)16/h1-5H,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 298.68 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).