3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine

C16H13ClFN3 — CID 118416853

IUPAC3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
SMILESCc1cn(Cc2cc(F)cc(Cl)c2)c(-c2cccnc2)n1
InChIInChI=1S/C16H13ClFN3/c1-11-9-21(10-12-5-14(17)7-15(18)6-12)16(20-11)13-3-2-4-19-8-13/h2-9H,10H2,1H3
InChIKeyOWECDBCHEZYZBO-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.09
Rot. Bonds3

About 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine

3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine (PubChem CID 118416853) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
PubChem CID118416853
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
SMILESCc1cn(Cc2cc(F)cc(Cl)c2)c(-c2cccnc2)n1
InChIInChI=1S/C16H13ClFN3/c1-11-9-21(10-12-5-14(17)7-15(18)6-12)16(20-11)13-3-2-4-19-8-13/h2-9H,10H2,1H3
InChIKeyOWECDBCHEZYZBO-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine (CID 118416853) is 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine is Cc1cn(Cc2cc(F)cc(Cl)c2)c(-c2cccnc2)n1.
What is the InChIKey of 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine?
The InChIKey is OWECDBCHEZYZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-11-9-21(10-12-5-14(17)7-15(18)6-12)16(20-11)13-3-2-4-19-8-13/h2-9H,10H2,1H3.
What are the key properties of 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine?
3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine has a molecular weight of 301.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine is sourced from PubChem (CID 118416853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).