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

C13H10F2N2O2 — CID 115490715

IUPAC5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-5,7,16H,6H2,(H,18,19)
InChIKeyKARVQZQRNMPOLS-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.67
Rot. Bonds4

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

5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 115490715) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID115490715
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-5,7,16H,6H2,(H,18,19)
InChIKeyKARVQZQRNMPOLS-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

5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109190697
N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
CID 55070897
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 115490672
5-[(3-fluoro-5-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81088036
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
5-[(4-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81100171
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid (CID 115490715) is 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is KARVQZQRNMPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-5,7,16H,6H2,(H,18,19).
What are the key properties of 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid?
5-[(3,4-difluorophenyl)methylamino]pyridine-2-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 5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).