5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide

C9H8BrClN2O — CID 130550467

IUPAC5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C9H8BrClN2O/c1-2-3-12-9(14)6-4-7(10)8(11)13-5-6/h2,4-5H,1,3H2,(H,12,14)
InChIKeyWWCUGGFNFFZQLV-UHFFFAOYSA-N
MW275.53 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide

5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 130550467) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide
PubChem CID130550467
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C9H8BrClN2O/c1-2-3-12-9(14)6-4-7(10)8(11)13-5-6/h2,4-5H,1,3H2,(H,12,14)
InChIKeyWWCUGGFNFFZQLV-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
CID 110490180
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide (CID 130550467) is 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is WWCUGGFNFFZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-2-3-12-9(14)6-4-7(10)8(11)13-5-6/h2,4-5H,1,3H2,(H,12,14).
What are the key properties of 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide?
5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 275.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 130550467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).