5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide

C9H10BrClN2O — CID 155923574

IUPAC5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c1-5(2)13-9(14)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,13,14)
InChIKeySDBSXKSYLWVUPV-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide

5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 155923574) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
PubChem CID155923574
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c1-5(2)13-9(14)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,13,14)
InChIKeySDBSXKSYLWVUPV-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 75522226
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
1-(6-bromo-8-chloroisoquinolin-3-yl)-3-propan-2-ylurea
CID 135342917
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
4-bromo-5-chloro-N-propan-2-ylfuran-2-carboxamide
CID 97178945
propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
CID 133062597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide (CID 155923574) is 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SDBSXKSYLWVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-5(2)13-9(14)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide?
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 277.55 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 155923574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).