5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide

C10H10BrClN2O — CID 130572235

IUPAC5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(Cl)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c11-8-5-13-9(12)3-7(8)10(15)14-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyYNPMPCBVGATCEC-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide

5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide (PubChem CID 130572235) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
PubChem CID130572235
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(Cl)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c11-8-5-13-9(12)3-7(8)10(15)14-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15)
InChIKeyYNPMPCBVGATCEC-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.64
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-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
CID 130572192
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
N-acetyl-5-bromo-2-chloropyridine-4-carboxamide
CID 130572297
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide (CID 130572235) is 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide is O=C(NCC1CC1)c1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide?
The InChIKey is YNPMPCBVGATCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-8-5-13-9(12)3-7(8)10(15)14-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,14,15).
What are the key properties of 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide?
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide has a molecular weight of 289.56 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 130572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).