2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid

C13H9F3N2O2 — CID 105382350

IUPAC2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cc(F)ccc2F)c1F
InChIInChI=1S/C13H9F3N2O2/c14-8-1-2-10(15)7(5-8)6-18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,6H2,(H,17,18)(H,19,20)
InChIKeyYNMGSWYHFMNNTE-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.81
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid

2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382350) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382350
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cc(F)ccc2F)c1F
InChIInChI=1S/C13H9F3N2O2/c14-8-1-2-10(15)7(5-8)6-18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,6H2,(H,17,18)(H,19,20)
InChIKeyYNMGSWYHFMNNTE-UHFFFAOYSA-N
XLogP2.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.81
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
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382240
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid (CID 105382350) is 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2cc(F)ccc2F)c1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is YNMGSWYHFMNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-8-1-2-10(15)7(5-8)6-18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid?
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 282.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).