[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate

C16H10ClFN2O2S — CID 7867723

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccnc1Cl
InChIInChI=1S/C16H10ClFN2O2S/c17-14-13(2-1-7-19-14)16(21)22-8-12-9-23-15(20-12)10-3-5-11(18)6-4-10/h1-7,9H,8H2
InChIKeyHLXHCPXRTSCXDX-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.35
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate (PubChem CID 7867723) has the molecular formula C16H10ClFN2O2S and a molecular weight of 348.79 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate
PubChem CID7867723
Molecular FormulaC16H10ClFN2O2S
Molecular Weight348.79 g/mol
Exact Mass348.01
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccnc1Cl
InChIInChI=1S/C16H10ClFN2O2S/c17-14-13(2-1-7-19-14)16(21)22-8-12-9-23-15(20-12)10-3-5-11(18)6-4-10/h1-7,9H,8H2
InChIKeyHLXHCPXRTSCXDX-UHFFFAOYSA-N
XLogP4.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate (CID 7867723) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccnc1Cl.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate?
The InChIKey is HLXHCPXRTSCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2S/c17-14-13(2-1-7-19-14)16(21)22-8-12-9-23-15(20-12)10-3-5-11(18)6-4-10/h1-7,9H,8H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate has a molecular weight of 348.79 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 7867723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).