5-bromo-4-methylpyridine-3-carbonitrile

C7H5BrN2 — CID 7060681

IUPAC5-bromo-4-methylpyridine-3-carbonitrile
SMILESCc1c(Br)cncc1C#N
InChIInChI=1S/C7H5BrN2/c1-5-6(2-9)3-10-4-7(5)8/h3-4H,1H3
InChIKeyHVTPZRXPJRFYHD-UHFFFAOYSA-N
MW197.03 g/mol
LogP2.02
Rot. Bonds

About 5-bromo-4-methylpyridine-3-carbonitrile

5-bromo-4-methylpyridine-3-carbonitrile (PubChem CID 7060681) has the molecular formula C7H5BrN2 and a molecular weight of 197.03 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-methylpyridine-3-carbonitrile
PubChem CID7060681
Molecular FormulaC7H5BrN2
Molecular Weight197.03 g/mol
Exact Mass195.96
IUPAC Name5-bromo-4-methylpyridine-3-carbonitrile
SMILESCc1c(Br)cncc1C#N
InChIInChI=1S/C7H5BrN2/c1-5-6(2-9)3-10-4-7(5)8/h3-4H,1H3
InChIKeyHVTPZRXPJRFYHD-UHFFFAOYSA-N
XLogP2.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylpyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4-methylpyridine-3-carbonitrile (CID 7060681) is 5-bromo-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4-methylpyridine-3-carbonitrile is Cc1c(Br)cncc1C#N.
What is the InChIKey of 5-bromo-4-methylpyridine-3-carbonitrile?
The InChIKey is HVTPZRXPJRFYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c1-5-6(2-9)3-10-4-7(5)8/h3-4H,1H3.
What are the key properties of 5-bromo-4-methylpyridine-3-carbonitrile?
5-bromo-4-methylpyridine-3-carbonitrile has a molecular weight of 197.03 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 7060681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).