3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one

C14H10ClNO — CID 143383552

IUPAC3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one
SMILESC=Cc1ccc2ncc(Cl)cc2c(=O)c1C=C
InChIInChI=1S/C14H10ClNO/c1-3-9-5-6-13-12(7-10(15)8-16-13)14(17)11(9)4-2/h3-8H,1-2H2
InChIKeyUDJLGILSXBFZGT-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.53
Rot. Bonds2

About 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one

3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one (PubChem CID 143383552) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one.

Molecular Properties

Compound Name3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one
PubChem CID143383552
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one
SMILESC=Cc1ccc2ncc(Cl)cc2c(=O)c1C=C
InChIInChI=1S/C14H10ClNO/c1-3-9-5-6-13-12(7-10(15)8-16-13)14(17)11(9)4-2/h3-8H,1-2H2
InChIKeyUDJLGILSXBFZGT-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6,7-bis[(Z)-prop-1-enyl]cyclohepta[b]pyridin-5-one;ethane
CID 143383802
(E)-4-(3-chloro-7-ethyl-5-oxocyclohepta[b]pyridin-6-yl)-3-methylbut-3-enal;ethane
CID 143383796
6-[(Z)-3-bromoprop-1-enyl]-7-ethenyl-3-phenylcyclohepta[b]pyridin-5-one
CID 143383545
7-chloro-2-ethenyl-1,5-naphthyridine
CID 175287395
3-chloroquinoline-5-sulfonyl chloride
CID 118997328
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
5-bromo-3-chloro-1,6-naphthyridine
CID 135397069
7-[(1Z)-buta-1,3-dienyl]-3-chloro-6-ethylpyrido[2,3-b]azepin-5-one
CID 143449624
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 15980865
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one?
The IUPAC name of 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one (CID 143383552) is 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one.
What is the SMILES notation for 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one?
The canonical SMILES for 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one is C=Cc1ccc2ncc(Cl)cc2c(=O)c1C=C.
What is the InChIKey of 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one?
The InChIKey is UDJLGILSXBFZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-3-9-5-6-13-12(7-10(15)8-16-13)14(17)11(9)4-2/h3-8H,1-2H2.
What are the key properties of 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one?
3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one has a molecular weight of 243.69 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-bis(ethenyl)cyclohepta[b]pyridin-5-one is sourced from PubChem (CID 143383552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).