[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol

C18H13FN2O — CID 46907566

IUPAC[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C18H13FN2O/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21/h1-10,22H,11H2
InChIKeyKTEHAYTUJNAIGY-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.81
Rot. Bonds2

About [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol

[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 46907566) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol
PubChem CID46907566
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol
SMILESOCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C18H13FN2O/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21/h1-10,22H,11H2
InChIKeyKTEHAYTUJNAIGY-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate;hydrobromide
CID 46907522
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
2-benzyl-9-(4-fluorophenyl)carbazole
CID 161167976
9-[4-(4-fluorophenyl)sulfinylphenyl]carbazole
CID 166955230
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166

Frequently Asked Questions

What is the IUPAC name of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol (CID 46907566) is [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol is OCc1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is KTEHAYTUJNAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-12-5-7-14(8-6-12)21-17-4-2-1-3-15(17)16-9-13(11-22)20-10-18(16)21/h1-10,22H,11H2.
What are the key properties of [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol?
[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 46907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).