N-acetyl-5-bromo-2-chloropyridine-4-carboxamide

C8H6BrClN2O2 — CID 130572297

IUPACN-acetyl-5-bromo-2-chloropyridine-4-carboxamide
SMILESCC(=O)NC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN2O2/c1-4(13)12-8(14)5-2-7(10)11-3-6(5)9/h2-3H,1H3,(H,12,13,14)
InChIKeyUQAWGHWXLQBFFZ-UHFFFAOYSA-N
MW277.51 g/mol
LogP1.77
Rot. Bonds1

About N-acetyl-5-bromo-2-chloropyridine-4-carboxamide

N-acetyl-5-bromo-2-chloropyridine-4-carboxamide (PubChem CID 130572297) has the molecular formula C8H6BrClN2O2 and a molecular weight of 277.51 g/mol. Its IUPAC name is N-acetyl-5-bromo-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-bromo-2-chloropyridine-4-carboxamide
PubChem CID130572297
Molecular FormulaC8H6BrClN2O2
Molecular Weight277.51 g/mol
Exact Mass275.93
IUPAC NameN-acetyl-5-bromo-2-chloropyridine-4-carboxamide
SMILESCC(=O)NC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN2O2/c1-4(13)12-8(14)5-2-7(10)11-3-6(5)9/h2-3H,1H3,(H,12,13,14)
InChIKeyUQAWGHWXLQBFFZ-UHFFFAOYSA-N
XLogP1.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
CID 130572192
5-bromo-N-but-3-yn-2-yl-2-chloropyridine-4-carboxamide
CID 130572324
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
3-(5-bromo-2-chloro-4-pyridinyl)-3-oxopropanenitrile
CID 130153554
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
CID 46220750
methyl 4-(5-bromo-2-chloro-4-pyridinyl)-6-methylpyridine-3-carboxylate
CID 166163179

Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-bromo-2-chloropyridine-4-carboxamide?
The IUPAC name of N-acetyl-5-bromo-2-chloropyridine-4-carboxamide (CID 130572297) is N-acetyl-5-bromo-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-acetyl-5-bromo-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-acetyl-5-bromo-2-chloropyridine-4-carboxamide is CC(=O)NC(=O)c1cc(Cl)ncc1Br.
What is the InChIKey of N-acetyl-5-bromo-2-chloropyridine-4-carboxamide?
The InChIKey is UQAWGHWXLQBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2O2/c1-4(13)12-8(14)5-2-7(10)11-3-6(5)9/h2-3H,1H3,(H,12,13,14).
What are the key properties of N-acetyl-5-bromo-2-chloropyridine-4-carboxamide?
N-acetyl-5-bromo-2-chloropyridine-4-carboxamide has a molecular weight of 277.51 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-bromo-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 130572297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).