7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol

C14H18ClNO — CID 163642185

IUPAC7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
SMILESCN1CCC2C(C1)c1ccc(Cl)cc1C2(C)O
InChIInChI=1S/C14H18ClNO/c1-14(17)12-5-6-16(2)8-11(12)10-4-3-9(15)7-13(10)14/h3-4,7,11-12,17H,5-6,8H2,1-2H3
InChIKeyIFEYGXPREMPALM-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.60
Rot. Bonds

About 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol

7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol (PubChem CID 163642185) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
PubChem CID163642185
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
SMILESCN1CCC2C(C1)c1ccc(Cl)cc1C2(C)O
InChIInChI=1S/C14H18ClNO/c1-14(17)12-5-6-16(2)8-11(12)10-4-3-9(15)7-13(10)14/h3-4,7,11-12,17H,5-6,8H2,1-2H3
InChIKeyIFEYGXPREMPALM-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The IUPAC name of 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol (CID 163642185) is 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol.
What is the SMILES notation for 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The canonical SMILES for 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol is CN1CCC2C(C1)c1ccc(Cl)cc1C2(C)O.
What is the InChIKey of 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The InChIKey is IFEYGXPREMPALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-14(17)12-5-6-16(2)8-11(12)10-4-3-9(15)7-13(10)14/h3-4,7,11-12,17H,5-6,8H2,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol has a molecular weight of 251.76 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol is sourced from PubChem (CID 163642185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).