5-fluoro-4-methylpyridine-2-carbonitrile

C7H5FN2 — CID 118235335

IUPAC5-fluoro-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1F
InChIInChI=1S/C7H5FN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
InChIKeyDUIFYTQUDNAJMI-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.40
Rot. Bonds

About 5-fluoro-4-methylpyridine-2-carbonitrile

5-fluoro-4-methylpyridine-2-carbonitrile (PubChem CID 118235335) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 5-fluoro-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4-methylpyridine-2-carbonitrile
PubChem CID118235335
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name5-fluoro-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1F
InChIInChI=1S/C7H5FN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
InChIKeyDUIFYTQUDNAJMI-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-fluoro-4-methylpyridine-2-carbonitrile (CID 118235335) is 5-fluoro-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-fluoro-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-fluoro-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1F.
What is the InChIKey of 5-fluoro-4-methylpyridine-2-carbonitrile?
The InChIKey is DUIFYTQUDNAJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3.
What are the key properties of 5-fluoro-4-methylpyridine-2-carbonitrile?
5-fluoro-4-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 5-fluoro-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 118235335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).