(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate

C13H8Cl2FNO2 — CID 3288046

IUPAC(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-17-12(10)15)13(18)19-7-8-3-1-2-4-11(8)16/h1-6H,7H2
InChIKeyROHGXZDBIQHFJA-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.88
Rot. Bonds3

About (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate

(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate (PubChem CID 3288046) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
PubChem CID3288046
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-17-12(10)15)13(18)19-7-8-3-1-2-4-11(8)16/h1-6H,7H2
InChIKeyROHGXZDBIQHFJA-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
prop-2-ynyl 3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91682729
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962
(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547525
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16596052
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate (CID 3288046) is (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate is O=C(OCc1ccccc1F)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
The InChIKey is ROHGXZDBIQHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-10-5-9(6-17-12(10)15)13(18)19-7-8-3-1-2-4-11(8)16/h1-6H,7H2.
What are the key properties of (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate?
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate has a molecular weight of 300.12 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 3288046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).