5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide

C12H14BrClN2O — CID 114301232

IUPAC5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1cncc(Br)c1
InChIInChI=1S/C12H14BrClN2O/c13-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)14/h5-7,10-11H,1-4H2,(H,16,17)
InChIKeyZAKSYDJWFYJNGE-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide

5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide (PubChem CID 114301232) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
PubChem CID114301232
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1cncc(Br)c1
InChIInChI=1S/C12H14BrClN2O/c13-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)14/h5-7,10-11H,1-4H2,(H,16,17)
InChIKeyZAKSYDJWFYJNGE-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
5-bromo-N-(4-fluorooxolan-3-yl)pyridine-3-carboxamide
CID 126856342
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]pyridine-3-carboxamide
CID 11899719
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
CID 75453330
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide (CID 114301232) is 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide is O=C(NC1CCCCC1Cl)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide?
The InChIKey is ZAKSYDJWFYJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)14/h5-7,10-11H,1-4H2,(H,16,17).
What are the key properties of 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide?
5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 114301232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).