4-methyl-7H-pyrido[3,2-b]azepine

C10H10N2 — CID 177041007

IUPAC4-methyl-7H-pyrido[3,2-b]azepine
SMILESCc1ccnc2c1N=CCC=C2
InChIInChI=1S/C10H10N2/c1-8-5-7-11-9-4-2-3-6-12-10(8)9/h2,4-7H,3H2,1H3
InChIKeyXLXXPEJIXYKZTF-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.51
Rot. Bonds

About 4-methyl-7H-pyrido[3,2-b]azepine

4-methyl-7H-pyrido[3,2-b]azepine (PubChem CID 177041007) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methyl-7H-pyrido[3,2-b]azepine.

Molecular Properties

Compound Name4-methyl-7H-pyrido[3,2-b]azepine
PubChem CID177041007
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-methyl-7H-pyrido[3,2-b]azepine
SMILESCc1ccnc2c1N=CCC=C2
InChIInChI=1S/C10H10N2/c1-8-5-7-11-9-4-2-3-6-12-10(8)9/h2,4-7H,3H2,1H3
InChIKeyXLXXPEJIXYKZTF-UHFFFAOYSA-N
XLogP2.51
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Ethionamide
CID 2761171
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
2-Methylpyridine
CID 7975
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7H-pyrido[3,2-b]azepine?
The IUPAC name of 4-methyl-7H-pyrido[3,2-b]azepine (CID 177041007) is 4-methyl-7H-pyrido[3,2-b]azepine.
What is the SMILES notation for 4-methyl-7H-pyrido[3,2-b]azepine?
The canonical SMILES for 4-methyl-7H-pyrido[3,2-b]azepine is Cc1ccnc2c1N=CCC=C2.
What is the InChIKey of 4-methyl-7H-pyrido[3,2-b]azepine?
The InChIKey is XLXXPEJIXYKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-5-7-11-9-4-2-3-6-12-10(8)9/h2,4-7H,3H2,1H3.
What are the key properties of 4-methyl-7H-pyrido[3,2-b]azepine?
4-methyl-7H-pyrido[3,2-b]azepine has a molecular weight of 158.20 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7H-pyrido[3,2-b]azepine is sourced from PubChem (CID 177041007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).