N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide

C12H9ClFN3O — CID 103745328

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)nc2)cnc1Cl
InChIInChI=1S/C12H9ClFN3O/c1-7-4-9(6-16-11(7)13)17-12(18)8-2-3-10(14)15-5-8/h2-6H,1H3,(H,17,18)
InChIKeyZEPWETRPYUKOBW-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.83
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide (PubChem CID 103745328) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
PubChem CID103745328
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)nc2)cnc1Cl
InChIInChI=1S/C12H9ClFN3O/c1-7-4-9(6-16-11(7)13)17-12(18)8-2-3-10(14)15-5-8/h2-6H,1H3,(H,17,18)
InChIKeyZEPWETRPYUKOBW-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.83
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

4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide (CID 103745328) is N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(F)nc2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is ZEPWETRPYUKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-7-4-9(6-16-11(7)13)17-12(18)8-2-3-10(14)15-5-8/h2-6H,1H3,(H,17,18).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103745328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).