[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

C19H15ClN2O — CID 127027533

IUPAC[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O/c20-15-7-5-13(6-8-15)11-22-18-4-2-1-3-16(18)17-9-14(12-23)10-21-19(17)22/h1-10,23H,11-12H2
InChIKeyKMTVXMDISSHGEH-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.38
Rot. Bonds3

About [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127027533) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127027533
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O/c20-15-7-5-13(6-8-15)11-22-18-4-2-1-3-16(18)17-9-14(12-23)10-21-19(17)22/h1-10,23H,11-12H2
InChIKeyKMTVXMDISSHGEH-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (CID 127027533) is [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)cc1.
What is the InChIKey of [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is KMTVXMDISSHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-15-7-5-13(6-8-15)11-22-18-4-2-1-3-16(18)17-9-14(12-23)10-21-19(17)22/h1-10,23H,11-12H2.
What are the key properties of [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
[9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 322.80 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(4-chlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127027533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).