[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

C21H15F3N2O2 — CID 54766868

IUPAC[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESOCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)15-1-5-17(6-2-15)28-18-7-3-16(4-8-18)26-12-14(13-27)19-9-10-25-11-20(19)26/h1-12,27H,13H2
InChIKeyKCFQIZXSLSJPTO-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.33
Rot. Bonds4

About [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol

[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (PubChem CID 54766868) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
PubChem CID54766868
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESOCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)15-1-5-17(6-2-15)28-18-7-3-16(4-8-18)26-12-14(13-27)19-9-10-25-11-20(19)26/h1-12,27H,13H2
InChIKeyKCFQIZXSLSJPTO-UHFFFAOYSA-N
XLogP5.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
1-Methyl-7-(3-fluorobenzyloxy)-9-(3-fluorobenzyl)-beta-carboline
CID 54766583
2-Benzyl-7-[(3-fluorophenyl)methoxy]-9-[(3-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766586
9-Benzyl-2-[(4-fluorophenyl)methyl]-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54766731
9-Benzyl-2-[(2-fluorophenyl)methyl]-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54766733
7-[(3-Fluorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-9-[(3-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766735
7-[(3-Fluorophenyl)methoxy]-9-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766739
2-Benzyl-7-[(4-fluorophenyl)methoxy]-9-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766890
7-[(4-Fluorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-9-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766894
2-Benzyl-1-methyl-7-phenylmethoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 54767050
2-[(2-Fluorophenyl)methyl]-1-methyl-7-phenylmethoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 54767052
2-[(4-Fluorophenyl)methyl]-1-methyl-7-phenylmethoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 54767195

Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol (CID 54766868) is [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is OCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12.
What is the InChIKey of [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
The InChIKey is KCFQIZXSLSJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)15-1-5-17(6-2-15)28-18-7-3-16(4-8-18)26-12-14(13-27)19-9-10-25-11-20(19)26/h1-12,27H,13H2.
What are the key properties of [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol?
[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol has a molecular weight of 384.36 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 54766868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).