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

C13H10F2N2O2 — CID 62228145

IUPAC2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-4-3-8(11(15)6-9)7-17-12-10(13(18)19)2-1-5-16-12/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyFKHMBJMCDSQBDK-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.67
Rot. Bonds4

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

2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 62228145) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID62228145
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-4-3-8(11(15)6-9)7-17-12-10(13(18)19)2-1-5-16-12/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyFKHMBJMCDSQBDK-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid (CID 62228145) is 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is FKHMBJMCDSQBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-4-3-8(11(15)6-9)7-17-12-10(13(18)19)2-1-5-16-12/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62228145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).