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

C16H15ClFN3 — CID 172754671

IUPAC2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine
SMILESCN1C=CN(Cc2ccc(-c3ccc(F)c(Cl)c3)nc2)C1
InChIInChI=1S/C16H15ClFN3/c1-20-6-7-21(11-20)10-12-2-5-16(19-9-12)13-3-4-15(18)14(17)8-13/h2-9H,10-11H2,1H3
InChIKeyKVVDGKLNWZYVKX-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.72
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine (PubChem CID 172754671) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine
PubChem CID172754671
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine
SMILESCN1C=CN(Cc2ccc(-c3ccc(F)c(Cl)c3)nc2)C1
InChIInChI=1S/C16H15ClFN3/c1-20-6-7-21(11-20)10-12-2-5-16(19-9-12)13-3-4-15(18)14(17)8-13/h2-9H,10-11H2,1H3
InChIKeyKVVDGKLNWZYVKX-UHFFFAOYSA-N
XLogP3.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine
CID 172708874
6-(3-chloro-4-fluorophenyl)pyridin-3-ol
CID 53229421
2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
CID 90193053
trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
CID 58330288
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 175646876
1-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 59451829
5-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088015
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
CID 175809986
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240125
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine (CID 172754671) is 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine is CN1C=CN(Cc2ccc(-c3ccc(F)c(Cl)c3)nc2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine?
The InChIKey is KVVDGKLNWZYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-20-6-7-21(11-20)10-12-2-5-16(19-9-12)13-3-4-15(18)14(17)8-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine?
2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine has a molecular weight of 303.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 172754671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).