7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine

C9H11ClN2 — CID 143712668

IUPAC7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESClC1=CNC2=NCCCC2=CC1
InChIInChI=1S/C9H11ClN2/c10-8-4-3-7-2-1-5-11-9(7)12-6-8/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeyJWFFTTPXTMIOSA-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.18
Rot. Bonds

About 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine

7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine (PubChem CID 143712668) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine
PubChem CID143712668
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESClC1=CNC2=NCCCC2=CC1
InChIInChI=1S/C9H11ClN2/c10-8-4-3-7-2-1-5-11-9(7)12-6-8/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeyJWFFTTPXTMIOSA-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
4-Chloro-3,6-diethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123185553
ethane;(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143320826
7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane
CID 143712667
(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
CID 143712815
6,9-dihydro-4H-pyrido[2,3-b]azepine
CID 143712934
6,6-Dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
CID 143729093
(2E)-N-[(E)-but-1-enyl]-2-(1-chloroethylidene)-N'-propylpentanimidamide
CID 156230352

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The IUPAC name of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine (CID 143712668) is 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine.
What is the SMILES notation for 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The canonical SMILES for 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine is ClC1=CNC2=NCCCC2=CC1.
What is the InChIKey of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The InChIKey is JWFFTTPXTMIOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-4-3-7-2-1-5-11-9(7)12-6-8/h3,6H,1-2,4-5H2,(H,11,12).
What are the key properties of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine?
7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine has a molecular weight of 182.65 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143712668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).