methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

C19H16F3NO3 — CID 135979827

IUPACmethyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)n1
InChIInChI=1S/C19H16F3NO3/c1-26-18(25)16-7-3-6-15(23-16)13-5-2-4-12(13)14-10-11(19(20,21)22)8-9-17(14)24/h3,6-10,24H,2,4-5H2,1H3
InChIKeyRNYJNEPHUFWIAI-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.69
Rot. Bonds3

About methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate

methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 135979827) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID135979827
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Namemethyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)n1
InChIInChI=1S/C19H16F3NO3/c1-26-18(25)16-7-3-6-15(23-16)13-5-2-4-12(13)14-10-11(19(20,21)22)8-9-17(14)24/h3,6-10,24H,2,4-5H2,1H3
InChIKeyRNYJNEPHUFWIAI-UHFFFAOYSA-N
XLogP4.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033926
methyl 6-[2-[2-[(2,3-difluorocyclohepta-1,6-dien-1-yl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033720
methyl 5-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate
CID 87627150
ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 143034040
ethyl 6-[2-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 87629236
6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid
CID 11362994
6-[2-[2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 11775463
4-ethyl-3-methylphenol;2-[2-[2-methyl-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-6-prop-1-en-2-ylpyridine
CID 143033966
fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033766
1-ethyl-4-fluoro-2-methylbenzene;2-[2-[2-methyl-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]-6-prop-1-en-2-ylpyridine
CID 143033980
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate (CID 135979827) is methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is COC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3O)CCC2)n1.
What is the InChIKey of methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is RNYJNEPHUFWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-26-18(25)16-7-3-6-15(23-16)13-5-2-4-12(13)14-10-11(19(20,21)22)8-9-17(14)24/h3,6-10,24H,2,4-5H2,1H3.
What are the key properties of methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate?
methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 363.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 135979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).