2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide

C13H10F2N2O2 — CID 105381289

IUPAC2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H10F2N2O2/c1-7-6-8(18)2-3-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6,18H,1H3,(H,17,19)
InChIKeyYPEQWCHBWALKHU-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.63
Rot. Bonds2

About 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide

2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 105381289) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
PubChem CID105381289
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H10F2N2O2/c1-7-6-8(18)2-3-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6,18H,1H3,(H,17,19)
InChIKeyYPEQWCHBWALKHU-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
2-chloro-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 110475171
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide (CID 105381289) is 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is YPEQWCHBWALKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-7-6-8(18)2-3-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6,18H,1H3,(H,17,19).
What are the key properties of 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).