2-amino-6-bromo-4-methylpyridine-3-carbonitrile

C7H6BrN3 — CID 165386870

IUPAC2-amino-6-bromo-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Br)nc(N)c1C#N
InChIInChI=1S/C7H6BrN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11)
InChIKeyQMNFTJWGNVCSDO-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.61
Rot. Bonds

About 2-amino-6-bromo-4-methylpyridine-3-carbonitrile

2-amino-6-bromo-4-methylpyridine-3-carbonitrile (PubChem CID 165386870) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-bromo-4-methylpyridine-3-carbonitrile
PubChem CID165386870
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name2-amino-6-bromo-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Br)nc(N)c1C#N
InChIInChI=1S/C7H6BrN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11)
InChIKeyQMNFTJWGNVCSDO-UHFFFAOYSA-N
XLogP1.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.61
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

6-bromo-2,4-dimethylpyridine-3-carbonitrile
CID 130825112
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
2-amino-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130103307
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
6-bromo-3-N-ethynyl-4-methylpyridine-2,3-diamine;ethane
CID 143720515
2,4-diamino-6-(3-bromo-4-fluoro-2,6-dimethylphenyl)pyrimidine-5-carbonitrile
CID 169398682
6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
CID 126752195
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
3-amino-6-bromo-5-methylpyridine-2-carbonitrile
CID 131305995

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-bromo-4-methylpyridine-3-carbonitrile (CID 165386870) is 2-amino-6-bromo-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-bromo-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-bromo-4-methylpyridine-3-carbonitrile is Cc1cc(Br)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-bromo-4-methylpyridine-3-carbonitrile?
The InChIKey is QMNFTJWGNVCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11).
What are the key properties of 2-amino-6-bromo-4-methylpyridine-3-carbonitrile?
2-amino-6-bromo-4-methylpyridine-3-carbonitrile has a molecular weight of 212.05 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 165386870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).