7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol

C12H14ClNO — CID 118712369

IUPAC7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
SMILESOc1cc2c(cc1Cl)CC1CCCNC21
InChIInChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2
InChIKeyXHDNAIUOGWZVTP-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.64
Rot. Bonds

About 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol

7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol (PubChem CID 118712369) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol.

Molecular Properties

Compound Name7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
PubChem CID118712369
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
SMILESOc1cc2c(cc1Cl)CC1CCCNC21
InChIInChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2
InChIKeyXHDNAIUOGWZVTP-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol?
The IUPAC name of 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol (CID 118712369) is 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol.
What is the SMILES notation for 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol?
The canonical SMILES for 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol is Oc1cc2c(cc1Cl)CC1CCCNC21.
What is the InChIKey of 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol?
The InChIKey is XHDNAIUOGWZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2.
What are the key properties of 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol?
7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol has a molecular weight of 223.70 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol is sourced from PubChem (CID 118712369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).