2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol

C19H19ClN2O — CID 118011547

IUPAC2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1
InChIInChI=1S/C19H19ClN2O/c20-14-5-6-18-16(11-14)15-3-1-2-4-17(15)22(18)12-19(23)13-7-9-21-10-8-13/h5-11,19,23H,1-4,12H2
InChIKeyBWWWHCLBPKNZOI-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.30
Rot. Bonds3

About 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol

2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol (PubChem CID 118011547) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
PubChem CID118011547
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
SMILESOC(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1
InChIInChI=1S/C19H19ClN2O/c20-14-5-6-18-16(11-14)15-3-1-2-4-17(15)22(18)12-19(23)13-7-9-21-10-8-13/h5-11,19,23H,1-4,12H2
InChIKeyBWWWHCLBPKNZOI-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol (CID 118011547) is 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol is OC(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1.
What is the InChIKey of 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol?
The InChIKey is BWWWHCLBPKNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-14-5-6-18-16(11-14)15-3-1-2-4-17(15)22(18)12-19(23)13-7-9-21-10-8-13/h5-11,19,23H,1-4,12H2.
What are the key properties of 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol?
2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol has a molecular weight of 326.83 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 118011547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).