ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate

C22H19ClFNO3 — CID 59384265

IUPACethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C22H19ClFNO3/c1-2-27-22(26)20-5-3-4-19(25-20)13-16-12-17(23)8-11-21(16)28-14-15-6-9-18(24)10-7-15/h3-12H,2,13-14H2,1H3
InChIKeyIQHKENJMXMMKOE-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.22
Rot. Bonds7

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

ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (PubChem CID 59384265) has the molecular formula C22H19ClFNO3 and a molecular weight of 399.85 g/mol. Its IUPAC name is ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
PubChem CID59384265
Molecular FormulaC22H19ClFNO3
Molecular Weight399.85 g/mol
Exact Mass399.10
IUPAC Nameethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C22H19ClFNO3/c1-2-27-22(26)20-5-3-4-19(25-20)13-16-12-17(23)8-11-21(16)28-14-15-6-9-18(24)10-7-15/h3-12H,2,13-14H2,1H3
InChIKeyIQHKENJMXMMKOE-UHFFFAOYSA-N
XLogP5.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.85
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
ethyl 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate
CID 59384274
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 59786538
ethyl 2-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786330
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522
ethyl 6-[2-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-2-carboxylate
CID 58838259
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate (CID 59384265) is ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
The InChIKey is IQHKENJMXMMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3/c1-2-27-22(26)20-5-3-4-19(25-20)13-16-12-17(23)8-11-21(16)28-14-15-6-9-18(24)10-7-15/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate?
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate has a molecular weight of 399.85 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 59384265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).