9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile

C12H9FN2 — CID 170178064

IUPAC9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile
SMILESCC1=CCC2=CC=C(C#N)C=C(F)C2=N1
InChIInChI=1S/C12H9FN2/c1-8-2-4-10-5-3-9(7-14)6-11(13)12(10)15-8/h2-3,5-6H,4H2,1H3
InChIKeyUWPMOBMIXKOSNZ-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.98
Rot. Bonds

About 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile

9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile (PubChem CID 170178064) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile
PubChem CID170178064
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile
SMILESCC1=CCC2=CC=C(C#N)C=C(F)C2=N1
InChIInChI=1S/C12H9FN2/c1-8-2-4-10-5-3-9(7-14)6-11(13)12(10)15-8/h2-3,5-6H,4H2,1H3
InChIKeyUWPMOBMIXKOSNZ-UHFFFAOYSA-N
XLogP2.98
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile?
The IUPAC name of 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile (CID 170178064) is 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile.
What is the SMILES notation for 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile?
The canonical SMILES for 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile is CC1=CCC2=CC=C(C#N)C=C(F)C2=N1.
What is the InChIKey of 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile?
The InChIKey is UWPMOBMIXKOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c1-8-2-4-10-5-3-9(7-14)6-11(13)12(10)15-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile?
9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile has a molecular weight of 200.22 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile is sourced from PubChem (CID 170178064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).