6-fluoro-3-methylpyridine-2-carbonitrile

C7H5FN2 — CID 104546694

IUPAC6-fluoro-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(F)nc1C#N
InChIInChI=1S/C7H5FN2/c1-5-2-3-7(8)10-6(5)4-9/h2-3H,1H3
InChIKeyZSVIBXLHDLJAHF-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.40
Rot. Bonds

About 6-fluoro-3-methylpyridine-2-carbonitrile

6-fluoro-3-methylpyridine-2-carbonitrile (PubChem CID 104546694) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 6-fluoro-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-methylpyridine-2-carbonitrile
PubChem CID104546694
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name6-fluoro-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(F)nc1C#N
InChIInChI=1S/C7H5FN2/c1-5-2-3-7(8)10-6(5)4-9/h2-3H,1H3
InChIKeyZSVIBXLHDLJAHF-UHFFFAOYSA-N
XLogP1.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-methylpyridine-2-carbonitrile (CID 104546694) is 6-fluoro-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-methylpyridine-2-carbonitrile is Cc1ccc(F)nc1C#N.
What is the InChIKey of 6-fluoro-3-methylpyridine-2-carbonitrile?
The InChIKey is ZSVIBXLHDLJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c1-5-2-3-7(8)10-6(5)4-9/h2-3H,1H3.
What are the key properties of 6-fluoro-3-methylpyridine-2-carbonitrile?
6-fluoro-3-methylpyridine-2-carbonitrile has a molecular weight of 136.13 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 104546694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).