2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C13H11F2N3O2 — CID 70724743

IUPAC2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]c(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C13H11F2N3O2/c14-7-2-1-6(5-8(7)15)12-17-9-3-4-16-11(13(19)20)10(9)18-12/h1-2,5,11,16H,3-4H2,(H,17,18)(H,19,20)
InChIKeyVMOWFWCYKHRVGT-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.63
Rot. Bonds2

About 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70724743) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70724743
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]c(-c3ccc(F)c(F)c3)nc21
InChIInChI=1S/C13H11F2N3O2/c14-7-2-1-6(5-8(7)15)12-17-9-3-4-16-11(13(19)20)10(9)18-12/h1-2,5,11,16H,3-4H2,(H,17,18)(H,19,20)
InChIKeyVMOWFWCYKHRVGT-UHFFFAOYSA-N
XLogP1.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 70724743) is 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1NCCc2[nH]c(-c3ccc(F)c(F)c3)nc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is VMOWFWCYKHRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-7-2-1-6(5-8(7)15)12-17-9-3-4-16-11(13(19)20)10(9)18-12/h1-2,5,11,16H,3-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70724743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).