N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide

C12H8ClFN2O — CID 771964

IUPACN-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccnc1
InChIInChI=1S/C12H8ClFN2O/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeySHZSADZRVMGPOK-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 771964) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID771964
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC NameN-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccnc1
InChIInChI=1S/C12H8ClFN2O/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
InChIKeySHZSADZRVMGPOK-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide (CID 771964) is N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is SHZSADZRVMGPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 250.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 771964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).