ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate

C18H19F2NO3 — CID 143775742

IUPACethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)O)cc(-c2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C18H19F2NO3/c1-4-24-18(23)17-11(3)21-16(8-13(17)5-10(2)22)12-6-14(19)9-15(20)7-12/h6-10,22H,4-5H2,1-3H3
InChIKeyPGNFGYOEDUPGBK-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.44
Rot. Bonds5

About ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate

ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate (PubChem CID 143775742) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate
PubChem CID143775742
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Nameethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)O)cc(-c2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C18H19F2NO3/c1-4-24-18(23)17-11(3)21-16(8-13(17)5-10(2)22)12-6-14(19)9-15(20)7-12/h6-10,22H,4-5H2,1-3H3
InChIKeyPGNFGYOEDUPGBK-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid
CID 59487437
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
CID 134950158
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 4-fluoro-2,6-diiodobenzoate
CID 131074372
ethyl 2-methyl-6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 76852879
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 1-(2-bromoethyl)-3-(3,5-difluorophenyl)pyrazole-5-carboxylate
CID 171367380
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate (CID 143775742) is ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1c(CC(C)O)cc(-c2cc(F)cc(F)c2)nc1C.
What is the InChIKey of ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate?
The InChIKey is PGNFGYOEDUPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-4-24-18(23)17-11(3)21-16(8-13(17)5-10(2)22)12-6-14(19)9-15(20)7-12/h6-10,22H,4-5H2,1-3H3.
What are the key properties of ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate has a molecular weight of 335.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3,5-difluorophenyl)-4-(2-hydroxypropyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 143775742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).