methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate

C16H12FN3O3 — CID 167770946

IUPACmethyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate
SMILESCOC(=O)c1cc(F)c(C)c(Oc2ccc3nccnc3n2)c1
InChIInChI=1S/C16H12FN3O3/c1-9-11(17)7-10(16(21)22-2)8-13(9)23-14-4-3-12-15(20-14)19-6-5-18-12/h3-8H,1-2H3
InChIKeyNDAHKWWNVMGMIW-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.05
Rot. Bonds3

About methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate

methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate (PubChem CID 167770946) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate
PubChem CID167770946
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Namemethyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate
SMILESCOC(=O)c1cc(F)c(C)c(Oc2ccc3nccnc3n2)c1
InChIInChI=1S/C16H12FN3O3/c1-9-11(17)7-10(16(21)22-2)8-13(9)23-14-4-3-12-15(20-14)19-6-5-18-12/h3-8H,1-2H3
InChIKeyNDAHKWWNVMGMIW-UHFFFAOYSA-N
XLogP3.05
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
CID 55265589
N-(4-methylphenyl)-3-pyrido[2,3-b]pyrazin-6-yloxybenzamide
CID 133301621
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine
CID 133305556
methyl 4-(4-amino-2-fluoro-5-methylphenoxy)pyrimidine-2-carboxylate
CID 114417468
methyl 3-(2-cyclopentylacetyl)oxy-5-fluoro-4-methylbenzoate
CID 75437429
3-fluoro-5-iodo-4-methylbenzoic acid;methyl 3-fluoro-5-iodo-4-methylbenzoate
CID 143369201
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate
CID 130065864
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate?
The IUPAC name of methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate (CID 167770946) is methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate.
What is the SMILES notation for methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate?
The canonical SMILES for methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate is COC(=O)c1cc(F)c(C)c(Oc2ccc3nccnc3n2)c1.
What is the InChIKey of methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate?
The InChIKey is NDAHKWWNVMGMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-9-11(17)7-10(16(21)22-2)8-13(9)23-14-4-3-12-15(20-14)19-6-5-18-12/h3-8H,1-2H3.
What are the key properties of methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate?
methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate has a molecular weight of 313.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-methyl-5-pyrido[2,3-b]pyrazin-6-yloxybenzoate is sourced from PubChem (CID 167770946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).