[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

C19H14F2N2O — CID 127029317

IUPAC[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C19H14F2N2O/c20-14-5-6-17(21)13(8-14)10-23-18-4-2-1-3-15(18)16-7-12(11-24)9-22-19(16)23/h1-9,24H,10-11H2
InChIKeyTZUZWOXYQUAKGR-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.01
Rot. Bonds3

About [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127029317) has the molecular formula C19H14F2N2O and a molecular weight of 324.33 g/mol. Its IUPAC name is [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127029317
Molecular FormulaC19H14F2N2O
Molecular Weight324.33 g/mol
Exact Mass324.11
IUPAC Name[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C19H14F2N2O/c20-14-5-6-17(21)13(8-14)10-23-18-4-2-1-3-15(18)16-7-12(11-24)9-22-19(16)23/h1-9,24H,10-11H2
InChIKeyTZUZWOXYQUAKGR-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-7-(4-hydroxymethylphenyl)-4-aminopyrrolo[2,3-d]pyrimidine
CID 10471016
{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorophenyl}methanol
CID 44231745
{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl}-methanol
CID 44231857
[3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-methanol
CID 44384547
[2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-methanol
CID 44384548
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 44427151
[3-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155538952
[2-[3-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 155540184
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112
[2-(3-Quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanol
CID 155543041
[4-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155555121

Frequently Asked Questions

What is the IUPAC name of [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (CID 127029317) is [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1cc(F)ccc1F.
What is the InChIKey of [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is TZUZWOXYQUAKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O/c20-14-5-6-17(21)13(8-14)10-23-18-4-2-1-3-15(18)16-7-12(11-24)9-22-19(16)23/h1-9,24H,10-11H2.
What are the key properties of [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
[9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 324.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2,5-difluorophenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127029317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).