3-amino-6-bromo-5-methylpyridine-2-carbonitrile

C7H6BrN3 — CID 131305995

IUPAC3-amino-6-bromo-5-methylpyridine-2-carbonitrile
SMILESCc1cc(N)c(C#N)nc1Br
InChIInChI=1S/C7H6BrN3/c1-4-2-5(10)6(3-9)11-7(4)8/h2H,10H2,1H3
InChIKeyOLSDFRNKLPOOQG-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.61
Rot. Bonds

About 3-amino-6-bromo-5-methylpyridine-2-carbonitrile

3-amino-6-bromo-5-methylpyridine-2-carbonitrile (PubChem CID 131305995) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-amino-6-bromo-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-bromo-5-methylpyridine-2-carbonitrile
PubChem CID131305995
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name3-amino-6-bromo-5-methylpyridine-2-carbonitrile
SMILESCc1cc(N)c(C#N)nc1Br
InChIInChI=1S/C7H6BrN3/c1-4-2-5(10)6(3-9)11-7(4)8/h2H,10H2,1H3
InChIKeyOLSDFRNKLPOOQG-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

3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 131578012
3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile
CID 171829481
3-bromo-6-chloro-5-methylpyridine-2-carbonitrile
CID 86652350
2-amino-6-bromo-4-methylpyridine-3-carbonitrile
CID 165386870
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
4-amino-3-methylbenzonitrile
CID 7010316
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile
CID 146309052
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
2-bromo-6-methylpyridine-3,5-dicarbonitrile
CID 12535770
3-amino-4-methylbenzonitrile;ethane
CID 145234513

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-methylpyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-bromo-5-methylpyridine-2-carbonitrile (CID 131305995) is 3-amino-6-bromo-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-bromo-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-bromo-5-methylpyridine-2-carbonitrile is Cc1cc(N)c(C#N)nc1Br.
What is the InChIKey of 3-amino-6-bromo-5-methylpyridine-2-carbonitrile?
The InChIKey is OLSDFRNKLPOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-4-2-5(10)6(3-9)11-7(4)8/h2H,10H2,1H3.
What are the key properties of 3-amino-6-bromo-5-methylpyridine-2-carbonitrile?
3-amino-6-bromo-5-methylpyridine-2-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 3-amino-6-bromo-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 131305995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).