4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C9H5F3N2O3 — CID 171137802

IUPAC4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(OC(F)(F)F)nccc2[nH]1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)17-7-4-3-6(8(15)16)14-5(4)1-2-13-7/h1-3,14H,(H,15,16)
InChIKeyYUGLVGZYOKLXLC-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.16
Rot. Bonds2

About 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 171137802) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID171137802
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Name4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(OC(F)(F)F)nccc2[nH]1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)17-7-4-3-6(8(15)16)14-5(4)1-2-13-7/h1-3,14H,(H,15,16)
InChIKeyYUGLVGZYOKLXLC-UHFFFAOYSA-N
XLogP2.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine
CID 130119816
1H-indole-2,4,6-tricarboxylic acid
CID 24729635
4-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 155227311
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
4-oxo-1H-quinoline-2-carboxylic acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 87187000
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
5-amino-4-fluoro-1H-indole-2-carboxylic acid
CID 82401506
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 171137802) is 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(OC(F)(F)F)nccc2[nH]1.
What is the InChIKey of 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is YUGLVGZYOKLXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O3/c10-9(11,12)17-7-4-3-6(8(15)16)14-5(4)1-2-13-7/h1-3,14H,(H,15,16).
What are the key properties of 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 246.14 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 171137802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).