fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate

C18H16FNO3 — CID 143033766

IUPACfluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCOc1ccccc1C1=C(c2cccc(C(=O)OF)n2)CCC1
InChIInChI=1S/C18H16FNO3/c1-22-17-11-3-2-6-14(17)12-7-4-8-13(12)15-9-5-10-16(20-15)18(21)23-19/h2-3,5-6,9-11H,4,7-8H2,1H3
InChIKeySSSVOVHSRNRZGA-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.23
Rot. Bonds4

About fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate

fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate (PubChem CID 143033766) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namefluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
PubChem CID143033766
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namefluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate
SMILESCOc1ccccc1C1=C(c2cccc(C(=O)OF)n2)CCC1
InChIInChI=1S/C18H16FNO3/c1-22-17-11-3-2-6-14(17)12-7-4-8-13(12)15-9-5-10-16(20-15)18(21)23-19/h2-3,5-6,9-11H,4,7-8H2,1H3
InChIKeySSSVOVHSRNRZGA-UHFFFAOYSA-N
XLogP4.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21113006
methyl 6-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 135979827
ethyl 6-[2-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 87629236
ethane;6-[2-(5-fluoro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 143034040
ethyl 6-[2-[2-[2-(4-methylphenyl)ethyl]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033845
methyl 6-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 143033926
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
ethane;ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate
CID 143033870
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965

Frequently Asked Questions

What is the IUPAC name of fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate?
The IUPAC name of fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate (CID 143033766) is fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate?
The canonical SMILES for fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate is COc1ccccc1C1=C(c2cccc(C(=O)OF)n2)CCC1.
What is the InChIKey of fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate?
The InChIKey is SSSVOVHSRNRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-22-17-11-3-2-6-14(17)12-7-4-8-13(12)15-9-5-10-16(20-15)18(21)23-19/h2-3,5-6,9-11H,4,7-8H2,1H3.
What are the key properties of fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate?
fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 6-[2-(2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 143033766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).