7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

C8H10ClN3 — CID 145087238

IUPAC7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESClc1ccc2c(n1)NCCCN2
InChIInChI=1S/C8H10ClN3/c9-7-3-2-6-8(12-7)11-5-1-4-10-6/h2-3,10H,1,4-5H2,(H,11,12)
InChIKeyQKYAPGOKLNNUBE-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.96
Rot. Bonds

About 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (PubChem CID 145087238) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
PubChem CID145087238
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESClc1ccc2c(n1)NCCCN2
InChIInChI=1S/C8H10ClN3/c9-7-3-2-6-8(12-7)11-5-1-4-10-6/h2-3,10H,1,4-5H2,(H,11,12)
InChIKeyQKYAPGOKLNNUBE-UHFFFAOYSA-N
XLogP1.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;ethanol
CID 144746653
6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 131699529
7-chlorospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopentane]-2-one
CID 113316845
7-chlorospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclohexane]-2-one
CID 115473961
7,8-dichloro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014766
5,6,7,8-tetrahydro-1,5-naphthyridin-2-amine
CID 130119178
6-chloro-3-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473868
4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride
CID 55283146
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 82005414
6,8-dichloro-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
CID 88759960
1-(5-chloro-2,3-dihydro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine
CID 130474599
9-chloro-2,3,4,5-tetrahydro-1H-pyrido[3,4-b][1,4]diazepine
CID 84659365

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (CID 145087238) is 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is Clc1ccc2c(n1)NCCCN2.
What is the InChIKey of 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The InChIKey is QKYAPGOKLNNUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-7-3-2-6-8(12-7)11-5-1-4-10-6/h2-3,10H,1,4-5H2,(H,11,12).
What are the key properties of 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine has a molecular weight of 183.64 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 145087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).