2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride

C8H5ClF3N3O2 — CID 122155567

IUPAC2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2.ClH/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7;/h1-2H,(H,13,14)(H,15,16);1H
InChIKeyLUJBTLGTRUVRNE-UHFFFAOYSA-N
MW267.59 g/mol
LogP2.10
Rot. Bonds1

About 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride

2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 122155567) has the molecular formula C8H5ClF3N3O2 and a molecular weight of 267.59 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride
PubChem CID122155567
Molecular FormulaC8H5ClF3N3O2
Molecular Weight267.59 g/mol
Exact Mass267.00
IUPAC Name2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2.ClH/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7;/h1-2H,(H,13,14)(H,15,16);1H
InChIKeyLUJBTLGTRUVRNE-UHFFFAOYSA-N
XLogP2.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride (CID 122155567) is 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1cncc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is LUJBTLGTRUVRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2.ClH/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7;/h1-2H,(H,13,14)(H,15,16);1H.
What are the key properties of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride?
2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 267.59 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 122155567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).