[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

C19H14Cl2N2O — CID 127027536

IUPAC[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O/c20-16-5-3-6-17(21)15(16)10-23-18-7-2-1-4-13(18)14-8-12(11-24)9-22-19(14)23/h1-9,24H,10-11H2
InChIKeyJILOBYPOBTXZJU-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.04
Rot. Bonds3

About [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127027536) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127027536
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O/c20-16-5-3-6-17(21)15(16)10-23-18-7-2-1-4-13(18)14-8-12(11-24)9-22-19(14)23/h1-9,24H,10-11H2
InChIKeyJILOBYPOBTXZJU-UHFFFAOYSA-N
XLogP5.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (CID 127027536) is [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1c(Cl)cccc1Cl.
What is the InChIKey of [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is JILOBYPOBTXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-16-5-3-6-17(21)15(16)10-23-18-7-2-1-4-13(18)14-8-12(11-24)9-22-19(14)23/h1-9,24H,10-11H2.
What are the key properties of [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
[9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 357.24 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2,6-dichlorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127027536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).