3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride

C16H14ClF2N3 — CID 23445027

IUPAC3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride
SMILESCc1nccn1Cc1cncc(-c2ccc(F)c(F)c2)c1.Cl
InChIInChI=1S/C16H13F2N3.ClH/c1-11-20-4-5-21(11)10-12-6-14(9-19-8-12)13-2-3-15(17)16(18)7-13;/h2-9H,10H2,1H3;1H
InChIKeyLNTGZUOQTFPUPE-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.00
Rot. Bonds3

About 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride

3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride (PubChem CID 23445027) has the molecular formula C16H14ClF2N3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride
PubChem CID23445027
Molecular FormulaC16H14ClF2N3
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride
SMILESCc1nccn1Cc1cncc(-c2ccc(F)c(F)c2)c1.Cl
InChIInChI=1S/C16H13F2N3.ClH/c1-11-20-4-5-21(11)10-12-6-14(9-19-8-12)13-2-3-15(17)16(18)7-13;/h2-9H,10H2,1H3;1H
InChIKeyLNTGZUOQTFPUPE-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride
CID 23445013
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240125
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 10359623
5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 23445064
1-benzyl-2-methylimidazole
CID 158634472
1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90533989
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
6-(3,4-difluorophenyl)-3-methyl-1-(pyridin-4-ylmethyl)-2H-imidazo[4,5-b]pyridine
CID 150594120
1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110898736
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride (CID 23445027) is 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride is Cc1nccn1Cc1cncc(-c2ccc(F)c(F)c2)c1.Cl.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride?
The InChIKey is LNTGZUOQTFPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3.ClH/c1-11-20-4-5-21(11)10-12-6-14(9-19-8-12)13-2-3-15(17)16(18)7-13;/h2-9H,10H2,1H3;1H.
What are the key properties of 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride?
3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride has a molecular weight of 321.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride is sourced from PubChem (CID 23445027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).