ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate

C14H12FNO2S — CID 103613543

IUPACethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2ccccc2F)nc1
InChIInChI=1S/C14H12FNO2S/c1-2-18-14(17)10-7-8-13(16-9-10)19-12-6-4-3-5-11(12)15/h3-9H,2H2,1H3
InChIKeyNRQLMBWMQWPAKV-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.55
Rot. Bonds4

About ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate

ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate (PubChem CID 103613543) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
PubChem CID103613543
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Nameethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2ccccc2F)nc1
InChIInChI=1S/C14H12FNO2S/c1-2-18-14(17)10-7-8-13(16-9-10)19-12-6-4-3-5-11(12)15/h3-9H,2H2,1H3
InChIKeyNRQLMBWMQWPAKV-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-(1-benzylimidazol-2-yl)sulfanylpyridine-3-carboxylate
CID 31536166
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
ethyl 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536327
1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651373
ethyl 4-amino-3-pyridin-2-ylsulfanylbenzoate
CID 82795766

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate (CID 103613543) is ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate is CCOC(=O)c1ccc(Sc2ccccc2F)nc1.
What is the InChIKey of ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate?
The InChIKey is NRQLMBWMQWPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-2-18-14(17)10-7-8-13(16-9-10)19-12-6-4-3-5-11(12)15/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate?
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 103613543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).