3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine

C18H16ClF2N3O — CID 90440708

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
SMILESCCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3
InChIKeyAVVYTBJLTMGJSK-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.81
Rot. Bonds6

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine (PubChem CID 90440708) has the molecular formula C18H16ClF2N3O and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
PubChem CID90440708
Molecular FormulaC18H16ClF2N3O
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
SMILESCCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3
InChIKeyAVVYTBJLTMGJSK-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
CID 90440684
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
CID 141416182
1-[[5-(3-chlorophenyl)-6-(1-fluoroethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine
CID 163992119
N'-[amino-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]amino]methanimidamide
CID 134447642
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 90415611
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
CID 150659230
[1-[[5-[3-(difluoromethoxy)phenyl]-6-ethoxy-3-pyridinyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 90414911
3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine
CID 90416004
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine (CID 90440708) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine is CCc1cn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
The InChIKey is AVVYTBJLTMGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O/c1-2-15-10-24(11-23-15)9-12-6-16(13-4-3-5-14(19)7-13)17(22-8-12)25-18(20)21/h3-8,10-11,18H,2,9H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine has a molecular weight of 363.80 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 90440708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).