6,7-dimethyl-7H-cyclohepta[b]pyridine

C12H13N — CID 155713495

IUPAC6,7-dimethyl-7H-cyclohepta[b]pyridine
SMILESCC1=Cc2cccnc2C=CC1C
InChIInChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3
InChIKeyZRNREMWCPHWAJM-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.15
Rot. Bonds

About 6,7-dimethyl-7H-cyclohepta[b]pyridine

6,7-dimethyl-7H-cyclohepta[b]pyridine (PubChem CID 155713495) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6,7-dimethyl-7H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-7H-cyclohepta[b]pyridine
PubChem CID155713495
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name6,7-dimethyl-7H-cyclohepta[b]pyridine
SMILESCC1=Cc2cccnc2C=CC1C
InChIInChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3
InChIKeyZRNREMWCPHWAJM-UHFFFAOYSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-7H-cyclohepta[b]pyridine?
The IUPAC name of 6,7-dimethyl-7H-cyclohepta[b]pyridine (CID 155713495) is 6,7-dimethyl-7H-cyclohepta[b]pyridine.
What is the SMILES notation for 6,7-dimethyl-7H-cyclohepta[b]pyridine?
The canonical SMILES for 6,7-dimethyl-7H-cyclohepta[b]pyridine is CC1=Cc2cccnc2C=CC1C.
What is the InChIKey of 6,7-dimethyl-7H-cyclohepta[b]pyridine?
The InChIKey is ZRNREMWCPHWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-5-6-12-11(8-10(9)2)4-3-7-13-12/h3-9H,1-2H3.
What are the key properties of 6,7-dimethyl-7H-cyclohepta[b]pyridine?
6,7-dimethyl-7H-cyclohepta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-7H-cyclohepta[b]pyridine is sourced from PubChem (CID 155713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).