thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate

C11H8FNO2S — CID 107271846

IUPACthiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cccs1)c1cccnc1F
InChIInChI=1S/C11H8FNO2S/c12-10-9(4-1-5-13-10)11(14)15-7-8-3-2-6-16-8/h1-6H,7H2
InChIKeyWUZXXRDNEDQWLW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.64
Rot. Bonds3

About thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate

thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate (PubChem CID 107271846) has the molecular formula C11H8FNO2S and a molecular weight of 237.26 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
PubChem CID107271846
Molecular FormulaC11H8FNO2S
Molecular Weight237.26 g/mol
Exact Mass237.03
IUPAC Namethiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cccs1)c1cccnc1F
InChIInChI=1S/C11H8FNO2S/c12-10-9(4-1-5-13-10)11(14)15-7-8-3-2-6-16-8/h1-6H,7H2
InChIKeyWUZXXRDNEDQWLW-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
thiophen-2-ylmethyl 2,5-dihydroxybenzoate
CID 172638963
thiophen-2-ylmethyl 5-bromo-2-chloropyridine-3-carboxylate
CID 62867303
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
thiophen-2-ylmethyl 2-bromo-5-sulfanylbenzoate
CID 107018689
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600
[3-(thiophen-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62464119
thiophen-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 63840046

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate (CID 107271846) is thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate is O=C(OCc1cccs1)c1cccnc1F.
What is the InChIKey of thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate?
The InChIKey is WUZXXRDNEDQWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-10-9(4-1-5-13-10)11(14)15-7-8-3-2-6-16-8/h1-6H,7H2.
What are the key properties of thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate?
thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate is sourced from PubChem (CID 107271846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).