2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide

C12H13BrClFN2O — CID 143664413

IUPAC2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(F)c(Cl)nc1Br
InChIInChI=1S/C12H13BrClFN2O/c13-10-8(6-9(15)11(14)17-10)12(18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18)
InChIKeyVEWCFOIEJCXMQU-UHFFFAOYSA-N
MW335.60 g/mol
LogP3.70
Rot. Bonds2

About 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide

2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide (PubChem CID 143664413) has the molecular formula C12H13BrClFN2O and a molecular weight of 335.60 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
PubChem CID143664413
Molecular FormulaC12H13BrClFN2O
Molecular Weight335.60 g/mol
Exact Mass333.99
IUPAC Name2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(F)c(Cl)nc1Br
InChIInChI=1S/C12H13BrClFN2O/c13-10-8(6-9(15)11(14)17-10)12(18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18)
InChIKeyVEWCFOIEJCXMQU-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide (CID 143664413) is 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc(F)c(Cl)nc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
The InChIKey is VEWCFOIEJCXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFN2O/c13-10-8(6-9(15)11(14)17-10)12(18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18).
What are the key properties of 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide?
2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide has a molecular weight of 335.60 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-cyclohexyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 143664413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).