4-methyl-5H-cyclohepta[b]pyridine

C11H11N — CID 143466582

IUPAC4-methyl-5H-cyclohepta[b]pyridine
SMILESCc1ccnc2c1CC=CC=C2
InChIInChI=1S/C11H11N/c1-9-7-8-12-11-6-4-2-3-5-10(9)11/h2-4,6-8H,5H2,1H3
InChIKeyBFVDJADMFHBMEW-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.52
Rot. Bonds

About 4-methyl-5H-cyclohepta[b]pyridine

4-methyl-5H-cyclohepta[b]pyridine (PubChem CID 143466582) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-methyl-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4-methyl-5H-cyclohepta[b]pyridine
PubChem CID143466582
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4-methyl-5H-cyclohepta[b]pyridine
SMILESCc1ccnc2c1CC=CC=C2
InChIInChI=1S/C11H11N/c1-9-7-8-12-11-6-4-2-3-5-10(9)11/h2-4,6-8H,5H2,1H3
InChIKeyBFVDJADMFHBMEW-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 575987
2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine
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3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-cyclohepta[b]pyridine?
The IUPAC name of 4-methyl-5H-cyclohepta[b]pyridine (CID 143466582) is 4-methyl-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 4-methyl-5H-cyclohepta[b]pyridine?
The canonical SMILES for 4-methyl-5H-cyclohepta[b]pyridine is Cc1ccnc2c1CC=CC=C2.
What is the InChIKey of 4-methyl-5H-cyclohepta[b]pyridine?
The InChIKey is BFVDJADMFHBMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-7-8-12-11-6-4-2-3-5-10(9)11/h2-4,6-8H,5H2,1H3.
What are the key properties of 4-methyl-5H-cyclohepta[b]pyridine?
4-methyl-5H-cyclohepta[b]pyridine has a molecular weight of 157.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 143466582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).