(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate

C14H13ClN2O3 — CID 26757554

IUPAC(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(Cl)cc1COC(=O)c1cnc(C)cn1
InChIInChI=1S/C14H13ClN2O3/c1-9-6-17-12(7-16-9)14(18)20-8-10-5-11(15)3-4-13(10)19-2/h3-7H,8H2,1-2H3
InChIKeyWPKWVXIREXXUNQ-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.80
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate

(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate (PubChem CID 26757554) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
PubChem CID26757554
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(Cl)cc1COC(=O)c1cnc(C)cn1
InChIInChI=1S/C14H13ClN2O3/c1-9-6-17-12(7-16-9)14(18)20-8-10-5-11(15)3-4-13(10)19-2/h3-7H,8H2,1-2H3
InChIKeyWPKWVXIREXXUNQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(2-chloroquinolin-3-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7594610
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 18193422
(5-bromo-2-methoxyphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450456
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2645874
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190
(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 27478473
(5-chloro-2-methoxyphenyl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 42396516
[2-(2-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
(5-chloro-2-methoxyphenyl)methyl 4-chloro-3-methylsulfonylbenzoate
CID 27529077

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate (CID 26757554) is (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate is COc1ccc(Cl)cc1COC(=O)c1cnc(C)cn1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is WPKWVXIREXXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-6-17-12(7-16-9)14(18)20-8-10-5-11(15)3-4-13(10)19-2/h3-7H,8H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate?
(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 26757554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).