7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid

C13H9ClFN3O2 — CID 166598087

IUPAC7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid
SMILESFc1ccc(-c2cncc3[nH]cnc23)cc1Cl.O=CO
InChIInChI=1S/C12H7ClFN3.CH2O2/c13-9-3-7(1-2-10(9)14)8-4-15-5-11-12(8)17-6-16-11;2-1-3/h1-6H,(H,16,17);1H,(H,2,3)
InChIKeyUKKYITBDJPWOIE-UHFFFAOYSA-N
MW293.69 g/mol
LogP3.12
Rot. Bonds1

About 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid

7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid (PubChem CID 166598087) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid
PubChem CID166598087
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid
SMILESFc1ccc(-c2cncc3[nH]cnc23)cc1Cl.O=CO
InChIInChI=1S/C12H7ClFN3.CH2O2/c13-9-3-7(1-2-10(9)14)8-4-15-5-11-12(8)17-6-16-11;2-1-3/h1-6H,(H,16,17);1H,(H,2,3)
InChIKeyUKKYITBDJPWOIE-UHFFFAOYSA-N
XLogP3.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
CID 162633785
2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
CID 174478475
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
6-(3-chloro-4-fluorophenyl)pyridin-3-ol
CID 53229421
2-(3H-imidazo[4,5-c]pyridin-7-yl)-4-methoxyphenol
CID 162631441
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
5-(3-chloro-4-fluorophenyl)-8-fluoroquinazolin-4-amine;prop-2-enoic acid
CID 142278549
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
formic acid;3H-imidazo[4,5-c]quinoline
CID 70429853
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid (CID 166598087) is 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid is Fc1ccc(-c2cncc3[nH]cnc23)cc1Cl.O=CO.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid?
The InChIKey is UKKYITBDJPWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3.CH2O2/c13-9-3-7(1-2-10(9)14)8-4-15-5-11-12(8)17-6-16-11;2-1-3/h1-6H,(H,16,17);1H,(H,2,3).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid?
7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid has a molecular weight of 293.69 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;formic acid is sourced from PubChem (CID 166598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).