1-(5-chloro-3-pyridinyl)-1,4-diazepane

C10H14ClN3 — CID 11701287

IUPAC1-(5-chloro-3-pyridinyl)-1,4-diazepane
SMILESClc1cncc(N2CCCNCC2)c1
InChIInChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2
InChIKeyLYMBELAAKZROPC-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.53
Rot. Bonds1

About 1-(5-chloro-3-pyridinyl)-1,4-diazepane

1-(5-chloro-3-pyridinyl)-1,4-diazepane (PubChem CID 11701287) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-1,4-diazepane
PubChem CID11701287
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(5-chloro-3-pyridinyl)-1,4-diazepane
SMILESClc1cncc(N2CCCNCC2)c1
InChIInChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2
InChIKeyLYMBELAAKZROPC-UHFFFAOYSA-N
XLogP1.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-3-pyridinyl)-1,4-diazepane 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

Sofinicline
CID 10131048
2-Chloro-3-pyridylamine
CID 80528
3-Chloropyridin-4-amine
CID 581853
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
5-Amino-2-chloropyridine
CID 79305
3-Amino-2-bromo-5-chloropyridine
CID 2769640
1-(Pyridin-3-yl)piperazine
CID 437234
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
(1R,5S)-6-(6-chloro-5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 9813282
2-(5,6-Dichloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 9816268
(1S,5R)-6-(6-chloro-5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 9855966

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-1,4-diazepane (CID 11701287) is 1-(5-chloro-3-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-1,4-diazepane is Clc1cncc(N2CCCNCC2)c1.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-1,4-diazepane?
The InChIKey is LYMBELAAKZROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2.
What are the key properties of 1-(5-chloro-3-pyridinyl)-1,4-diazepane?
1-(5-chloro-3-pyridinyl)-1,4-diazepane has a molecular weight of 211.70 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 11701287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).