4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile

C13H15FN2 — CID 142279702

IUPAC4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile
SMILESCc1nccc(C2CCC(C#N)CC2)c1F
InChIInChI=1S/C13H15FN2/c1-9-13(14)12(6-7-16-9)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5H2,1H3
InChIKeyRCTFWZYYSWJMGK-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.33
Rot. Bonds1

About 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile

4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile (PubChem CID 142279702) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile
PubChem CID142279702
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile
SMILESCc1nccc(C2CCC(C#N)CC2)c1F
InChIInChI=1S/C13H15FN2/c1-9-13(14)12(6-7-16-9)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5H2,1H3
InChIKeyRCTFWZYYSWJMGK-UHFFFAOYSA-N
XLogP3.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile (CID 142279702) is 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile is Cc1nccc(C2CCC(C#N)CC2)c1F.
What is the InChIKey of 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile?
The InChIKey is RCTFWZYYSWJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-13(14)12(6-7-16-9)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile?
4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile has a molecular weight of 218.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 142279702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).