4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide

C12H8ClFN2O2 — CID 81233431

IUPAC4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cnccc1Cl
InChIInChI=1S/C12H8ClFN2O2/c13-9-3-4-15-6-8(9)12(18)16-7-1-2-11(17)10(14)5-7/h1-6,17H,(H,16,18)
InChIKeyGCOLLYOYMDNKAK-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.83
Rot. Bonds2

About 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide

4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 81233431) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID81233431
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cnccc1Cl
InChIInChI=1S/C12H8ClFN2O2/c13-9-3-4-15-6-8(9)12(18)16-7-1-2-11(17)10(14)5-7/h1-6,17H,(H,16,18)
InChIKeyGCOLLYOYMDNKAK-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
CID 102922040
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide (CID 81233431) is 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is GCOLLYOYMDNKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-3-4-15-6-8(9)12(18)16-7-1-2-11(17)10(14)5-7/h1-6,17H,(H,16,18).
What are the key properties of 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide?
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 266.66 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81233431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).