7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile

C12H10N2 — CID 146351614

IUPAC7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile
SMILESCC1=CC=c2nc(C#N)ccc2=CC1
InChIInChI=1S/C12H10N2/c1-9-2-4-10-5-6-11(8-13)14-12(10)7-3-9/h3-7H,2H2,1H3
InChIKeyDHCXCVXVCDWNCR-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.86
Rot. Bonds

About 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile

7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile (PubChem CID 146351614) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile
PubChem CID146351614
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile
SMILESCC1=CC=c2nc(C#N)ccc2=CC1
InChIInChI=1S/C12H10N2/c1-9-2-4-10-5-6-11(8-13)14-12(10)7-3-9/h3-7H,2H2,1H3
InChIKeyDHCXCVXVCDWNCR-UHFFFAOYSA-N
XLogP0.86
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile?
The IUPAC name of 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile (CID 146351614) is 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile.
What is the SMILES notation for 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile?
The canonical SMILES for 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile is CC1=CC=c2nc(C#N)ccc2=CC1.
What is the InChIKey of 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile?
The InChIKey is DHCXCVXVCDWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-9-2-4-10-5-6-11(8-13)14-12(10)7-3-9/h3-7H,2H2,1H3.
What are the key properties of 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile?
7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile is sourced from PubChem (CID 146351614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).