2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine

C14H15ClN2 — CID 46873318

IUPAC2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine
SMILESCN1CCc2cc3ccc(Cl)nc3cc2CC1
InChIInChI=1S/C14H15ClN2/c1-17-6-4-10-8-12-2-3-14(15)16-13(12)9-11(10)5-7-17/h2-3,8-9H,4-7H2,1H3
InChIKeyGRONTXCOGNJHQH-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.92
Rot. Bonds

About 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine

2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine (PubChem CID 46873318) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine.

Molecular Properties

Compound Name2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine
PubChem CID46873318
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine
SMILESCN1CCc2cc3ccc(Cl)nc3cc2CC1
InChIInChI=1S/C14H15ClN2/c1-17-6-4-10-8-12-2-3-14(15)16-13(12)9-11(10)5-7-17/h2-3,8-9H,4-7H2,1H3
InChIKeyGRONTXCOGNJHQH-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine?
The IUPAC name of 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine (CID 46873318) is 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine.
What is the SMILES notation for 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine?
The canonical SMILES for 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine is CN1CCc2cc3ccc(Cl)nc3cc2CC1.
What is the InChIKey of 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine?
The InChIKey is GRONTXCOGNJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17-6-4-10-8-12-2-3-14(15)16-13(12)9-11(10)5-7-17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine?
2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine has a molecular weight of 246.74 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-6,7,9,10-tetrahydropyrido[2,3-h][3]benzazepine is sourced from PubChem (CID 46873318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).