2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide

C10H11BrN2O — CID 103755142

IUPAC2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1CC1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-6-4-8(6)13-10(14)7-2-3-12-9(11)5-7/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyOLDQGLJGKJJWFR-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.98
Rot. Bonds2

About 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide

2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide (PubChem CID 103755142) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
PubChem CID103755142
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1CC1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-6-4-8(6)13-10(14)7-2-3-12-9(11)5-7/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyOLDQGLJGKJJWFR-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.98
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

2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-amino-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 62410186
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide (CID 103755142) is 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide is CC1CC1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is OLDQGLJGKJJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6-4-8(6)13-10(14)7-2-3-12-9(11)5-7/h2-3,5-6,8H,4H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide?
2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 255.12 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).