N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C15H10ClFN2O2 — CID 66484973

IUPACN-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccncc1C#CCO
InChIInChI=1S/C15H10ClFN2O2/c16-13-8-11(17)3-4-14(13)19-15(21)12-5-6-18-9-10(12)2-1-7-20/h3-6,8-9,20H,7H2,(H,19,21)
InChIKeyZYJPYWNQWUAUAO-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.47
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 66484973) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID66484973
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccncc1C#CCO
InChIInChI=1S/C15H10ClFN2O2/c16-13-8-11(17)3-4-14(13)19-15(21)12-5-6-18-9-10(12)2-1-7-20/h3-6,8-9,20H,7H2,(H,19,21)
InChIKeyZYJPYWNQWUAUAO-UHFFFAOYSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 66482898
N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107530967
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 66484973) is N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1ccncc1C#CCO.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is ZYJPYWNQWUAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-13-8-11(17)3-4-14(13)19-15(21)12-5-6-18-9-10(12)2-1-7-20/h3-6,8-9,20H,7H2,(H,19,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).