6-bromo-2,4-dimethylpyridine-3-carbonitrile

C8H7BrN2 — CID 130825112

IUPAC6-bromo-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Br)nc(C)c1C#N
InChIInChI=1S/C8H7BrN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3
InChIKeyTYPFSYDLKDXZMA-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.33
Rot. Bonds

About 6-bromo-2,4-dimethylpyridine-3-carbonitrile

6-bromo-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 130825112) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 6-bromo-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-2,4-dimethylpyridine-3-carbonitrile
PubChem CID130825112
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name6-bromo-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Br)nc(C)c1C#N
InChIInChI=1S/C8H7BrN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3
InChIKeyTYPFSYDLKDXZMA-UHFFFAOYSA-N
XLogP2.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-bromo-4-methylpyridine-3-carbonitrile
CID 165386870
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
6-ethyl-2,4-dimethylpyridine-3-carbonitrile
CID 88990253
2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
CID 131014317
6-azido-2,4-dimethylpyridine-3-carbonitrile
CID 130885262
(6-bromo-2,4-dimethyl-3-pyridinyl)boronic acid
CID 44755186
2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile
CID 130817083
copper;2,4-dimethyl-6-phenylpyridine-3-carbonitrile;dibromide
CID 68902117
6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 154304998
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
CID 162636895

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-bromo-2,4-dimethylpyridine-3-carbonitrile (CID 130825112) is 6-bromo-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(Br)nc(C)c1C#N.
What is the InChIKey of 6-bromo-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is TYPFSYDLKDXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3.
What are the key properties of 6-bromo-2,4-dimethylpyridine-3-carbonitrile?
6-bromo-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 211.06 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 130825112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).