4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C13H13ClFN3 — CID 56714965

IUPAC4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(F)c(C2NCCc3[nH]cnc32)c1Cl
InChIInChI=1S/C13H13ClFN3/c1-7-2-3-8(15)10(11(7)14)13-12-9(4-5-16-13)17-6-18-12/h2-3,6,13,16H,4-5H2,1H3,(H,17,18)
InChIKeyNBRCJDBUUUPDKI-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.75
Rot. Bonds1

About 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 56714965) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID56714965
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(F)c(C2NCCc3[nH]cnc32)c1Cl
InChIInChI=1S/C13H13ClFN3/c1-7-2-3-8(15)10(11(7)14)13-12-9(4-5-16-13)17-6-18-12/h2-3,6,13,16H,4-5H2,1H3,(H,17,18)
InChIKeyNBRCJDBUUUPDKI-UHFFFAOYSA-N
XLogP2.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 56714965) is 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is Cc1ccc(F)c(C2NCCc3[nH]cnc32)c1Cl.
What is the InChIKey of 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is NBRCJDBUUUPDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-7-2-3-8(15)10(11(7)14)13-12-9(4-5-16-13)17-6-18-12/h2-3,6,13,16H,4-5H2,1H3,(H,17,18).
What are the key properties of 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 265.72 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluoro-3-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 56714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).