2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid

C18H11F3N2O2 — CID 10472649

IUPAC2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H11F3N2O2/c19-10-5-6-11(14(21)9-10)17-12(18(24)25)7-8-16(23-17)22-15-4-2-1-3-13(15)20/h1-9H,(H,22,23)(H,24,25)
InChIKeyFOJCZXCRXGGFAB-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.61
Rot. Bonds4

About 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid

2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 10472649) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID10472649
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H11F3N2O2/c19-10-5-6-11(14(21)9-10)17-12(18(24)25)7-8-16(23-17)22-15-4-2-1-3-13(15)20/h1-9H,(H,22,23)(H,24,25)
InChIKeyFOJCZXCRXGGFAB-UHFFFAOYSA-N
XLogP4.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Niflumic Acid
CID 4488
4-[(2-Amino-6-methyl-4-pyrimidinyl)amino]benzoic acid
CID 618348
3-[6-[2-(2,4-Difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
CID 11717959
2-({2-[(2-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647254
2-({2-[(3-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647255
2-({2-[(4-Fluorophenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647256
2-{[5-Fluoro-2-(phenylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647269
Bisanilinopyrimidine, 6t
CID 70702147
4-((5-Allyl-6-methyl-2-phenylpyrimidin-4-yl)amino)benzoic acid
CID 826384
4-(6-Methyl-2-phenyl-5-propylpyrimidin-4-ylamino)benzoic acid
CID 54579989
4-(5-Isopropyl-6-methyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54580991
4-(5-Ethyl-6-methyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54585882

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid (CID 10472649) is 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccccc2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is FOJCZXCRXGGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-10-5-6-11(14(21)9-10)17-12(18(24)25)7-8-16(23-17)22-15-4-2-1-3-13(15)20/h1-9H,(H,22,23)(H,24,25).
What are the key properties of 2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid?
2-(2,4-difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 344.29 g/mol, XLogP of 4.61, 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)-6-(2-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 10472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).