(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate

C12H8ClFN2O2 — CID 106547525

IUPAC(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCc1ccccc1F)c1cncc(Cl)n1
InChIInChI=1S/C12H8ClFN2O2/c13-11-6-15-5-10(16-11)12(17)18-7-8-3-1-2-4-9(8)14/h1-6H,7H2
InChIKeyXLRTUUQNFKDONL-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.63
Rot. Bonds3

About (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate

(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate (PubChem CID 106547525) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
PubChem CID106547525
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCc1ccccc1F)c1cncc(Cl)n1
InChIInChI=1S/C12H8ClFN2O2/c13-11-6-15-5-10(16-11)12(17)18-7-8-3-1-2-4-9(8)14/h1-6H,7H2
InChIKeyXLRTUUQNFKDONL-UHFFFAOYSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547527
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 66456909
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
CID 63933212
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
(2-chloro-6-fluorophenyl)methyl pyrazine-2-carboxylate
CID 977894
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate (CID 106547525) is (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate is O=C(OCc1ccccc1F)c1cncc(Cl)n1.
What is the InChIKey of (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate?
The InChIKey is XLRTUUQNFKDONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-11-6-15-5-10(16-11)12(17)18-7-8-3-1-2-4-9(8)14/h1-6H,7H2.
What are the key properties of (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate?
(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate has a molecular weight of 266.66 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 106547525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).