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

C11H17ClN2 — CID 143712667

IUPAC7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane
SMILESCC.ClC1=CNC2=NCCCC2=CC1
InChIInChI=1S/C9H11ClN2.C2H6/c10-8-4-3-7-2-1-5-11-9(7)12-6-8;1-2/h3,6H,1-2,4-5H2,(H,11,12);1-2H3
InChIKeyJFTRVAUQIIVOBE-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.20
Rot. Bonds

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

7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane (PubChem CID 143712667) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane.

Molecular Properties

Compound Name7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane
PubChem CID143712667
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane
SMILESCC.ClC1=CNC2=NCCCC2=CC1
InChIInChI=1S/C9H11ClN2.C2H6/c10-8-4-3-7-2-1-5-11-9(7)12-6-8;1-2/h3,6H,1-2,4-5H2,(H,11,12);1-2H3
InChIKeyJFTRVAUQIIVOBE-UHFFFAOYSA-N
XLogP3.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88569346
(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 90689208
(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
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
CID 136614238
ethane;(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143320826
(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
CID 143712815
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
(Z)-N-[(E)-2-chloro-3-cyclopenta-1,3-dien-1-ylprop-1-enyl]-N'-methyl-2-methylidenepent-3-enimidamide
CID 143338814

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane?
The IUPAC name of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane (CID 143712667) is 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane.
What is the SMILES notation for 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane?
The canonical SMILES for 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane is CC.ClC1=CNC2=NCCCC2=CC1.
What is the InChIKey of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane?
The InChIKey is JFTRVAUQIIVOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2.C2H6/c10-8-4-3-7-2-1-5-11-9(7)12-6-8;1-2/h3,6H,1-2,4-5H2,(H,11,12);1-2H3.
What are the key properties of 7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane?
7-chloro-3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepine;ethane has a molecular weight of 212.72 g/mol, XLogP of 3.20, 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;ethane is sourced from PubChem (CID 143712667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).