3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile

C12H8FN3 — CID 90167151

IUPAC3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
SMILESCc1cc(-c2cnc(C#N)c(F)c2)ccn1
InChIInChI=1S/C12H8FN3/c1-8-4-9(2-3-15-8)10-5-11(13)12(6-14)16-7-10/h2-5,7H,1H3
InChIKeyYCXRGZCXQMYURK-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.46
Rot. Bonds1

About 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile

3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile (PubChem CID 90167151) has the molecular formula C12H8FN3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
PubChem CID90167151
Molecular FormulaC12H8FN3
Molecular Weight213.21 g/mol
Exact Mass213.07
IUPAC Name3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
SMILESCc1cc(-c2cnc(C#N)c(F)c2)ccn1
InChIInChI=1S/C12H8FN3/c1-8-4-9(2-3-15-8)10-5-11(13)12(6-14)16-7-10/h2-5,7H,1H3
InChIKeyYCXRGZCXQMYURK-UHFFFAOYSA-N
XLogP2.46
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile (CID 90167151) is 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile is Cc1cc(-c2cnc(C#N)c(F)c2)ccn1.
What is the InChIKey of 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is YCXRGZCXQMYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c1-8-4-9(2-3-15-8)10-5-11(13)12(6-14)16-7-10/h2-5,7H,1H3.
What are the key properties of 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile?
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 213.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 90167151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).