3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol

C9H7F3N2O — CID 137200580

IUPAC3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1c(O)[nH]c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H7F3N2O/c1-4-7-6(14-8(4)15)2-5(3-13-7)9(10,11)12/h2-3,14-15H,1H3
InChIKeyHTHRVZKIUZBCOQ-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.60
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol

3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (PubChem CID 137200580) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
PubChem CID137200580
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1c(O)[nH]c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H7F3N2O/c1-4-7-6(14-8(4)15)2-5(3-13-7)9(10,11)12/h2-3,14-15H,1H3
InChIKeyHTHRVZKIUZBCOQ-UHFFFAOYSA-N
XLogP2.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 136029155
(1H-Pyrrolo[3,2-b]pyridin-6-yl)methanol
CID 24229266
1H-Pyrrolo(3,2-b)pyridin-6-ol
CID 24229264
6h-Pyrrolo[3,4-b]pyridin-5-ol
CID 135702823
(2-Fluoroethylamino)-[1-[[2-methoxy-5-(trifluoromethyl)-3,4-dihydropyridin-3-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanol
CID 123971466
[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol
CID 130346846
5-fluoro-3-[[4-[(5-methylpyrazin-2-yl)methylamino]-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605073
6-fluoro-3-[[3-fluoro-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605262
5-fluoro-3-[[3-methyl-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605358
3-[[3-fluoro-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605426
6-fluoro-3-[[3-methyl-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605482
6-fluoro-3-[[4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1H-indol-2-ol
CID 135605496

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (CID 137200580) is 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is Cc1c(O)[nH]c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The InChIKey is HTHRVZKIUZBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-4-7-6(14-8(4)15)2-5(3-13-7)9(10,11)12/h2-3,14-15H,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol has a molecular weight of 216.16 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is sourced from PubChem (CID 137200580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).