methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate

C22H18Cl2FNO3 — CID 71024238

IUPACmethyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C22H18Cl2FNO3/c1-13-3-7-18(26-21(13)22(27)28-2)10-15-9-16(23)6-8-20(15)29-12-14-4-5-17(24)11-19(14)25/h3-9,11H,10,12H2,1-2H3
InChIKeyKRBSWBUPMWEAIX-UHFFFAOYSA-N
MW434.29 g/mol
LogP5.79
Rot. Bonds6

About methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate

methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate (PubChem CID 71024238) has the molecular formula C22H18Cl2FNO3 and a molecular weight of 434.29 g/mol. Its IUPAC name is methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
PubChem CID71024238
Molecular FormulaC22H18Cl2FNO3
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC Namemethyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C22H18Cl2FNO3/c1-13-3-7-18(26-21(13)22(27)28-2)10-15-9-16(23)6-8-20(15)29-12-14-4-5-17(24)11-19(14)25/h3-9,11H,10,12H2,1-2H3
InChIKeyKRBSWBUPMWEAIX-UHFFFAOYSA-N
XLogP5.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate with MolForge

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Related Compounds

4-chloro-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384279
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
methyl 3-amino-4-[(4-chloro-2-fluorophenyl)methoxy]benzoate
CID 114850858
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
CID 71519482
2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786412
sodium 4-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-2-carboxylate
CID 23678184
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139
ethyl 2-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786330
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
CID 11498213
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate (CID 71024238) is methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate is COC(=O)c1nc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)ccc1C.
What is the InChIKey of methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate?
The InChIKey is KRBSWBUPMWEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FNO3/c1-13-3-7-18(26-21(13)22(27)28-2)10-15-9-16(23)6-8-20(15)29-12-14-4-5-17(24)11-19(14)25/h3-9,11H,10,12H2,1-2H3.
What are the key properties of methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate?
methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate has a molecular weight of 434.29 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 71024238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).