2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C15H14ClFN2O2 — CID 103891998

IUPAC2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9(2)21-13-6-4-3-5-12(13)19-15(20)11-7-10(17)8-18-14(11)16/h3-9H,1-2H3,(H,19,20)
InChIKeySGNAXWUXOJTGFO-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 103891998) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID103891998
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-9(2)21-13-6-4-3-5-12(13)19-15(20)11-7-10(17)8-18-14(11)16/h3-9H,1-2H3,(H,19,20)
InChIKeySGNAXWUXOJTGFO-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103891694
2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347045
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 103891998) is 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is SGNAXWUXOJTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9(2)21-13-6-4-3-5-12(13)19-15(20)11-7-10(17)8-18-14(11)16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103891998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).