methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate

C16H14FNO2 — CID 67130742

IUPACmethyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate
SMILESCC=Cc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H14FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h3-10H,1-2H3
InChIKeyYBKKSLBPDVSJMA-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.71
Rot. Bonds3

About methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate

methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate (PubChem CID 67130742) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate
PubChem CID67130742
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Namemethyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate
SMILESCC=Cc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1
InChIInChI=1S/C16H14FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h3-10H,1-2H3
InChIKeyYBKKSLBPDVSJMA-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
CID 169453691
methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
CID 118173164
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-2-carboxylate
CID 87563758
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
methyl 6-(4-acetamido-3-chloro-7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 175062569
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate (CID 67130742) is methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate is CC=Cc1ccc(F)c(-c2cccc(C(=O)OC)n2)c1.
What is the InChIKey of methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate?
The InChIKey is YBKKSLBPDVSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-3-5-11-8-9-13(17)12(10-11)14-6-4-7-15(18-14)16(19)20-2/h3-10H,1-2H3.
What are the key properties of methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate?
methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate has a molecular weight of 271.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluoro-5-prop-1-enylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 67130742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).