methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate

C15H14FN3O4 — CID 154951895

IUPACmethyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2cnc(C(=O)OC)c(N)c2)cc1N
InChIInChI=1S/C15H14FN3O4/c1-22-14(20)9-4-10(16)8(5-11(9)17)7-3-12(18)13(19-6-7)15(21)23-2/h3-6H,17-18H2,1-2H3
InChIKeyVQYIBZXHHGZHGQ-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.63
Rot. Bonds3

About methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate

methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate (PubChem CID 154951895) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate
PubChem CID154951895
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Namemethyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2cnc(C(=O)OC)c(N)c2)cc1N
InChIInChI=1S/C15H14FN3O4/c1-22-14(20)9-4-10(16)8(5-11(9)17)7-3-12(18)13(19-6-7)15(21)23-2/h3-6H,17-18H2,1-2H3
InChIKeyVQYIBZXHHGZHGQ-UHFFFAOYSA-N
XLogP1.63
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate
CID 164541972
methyl 3-amino-5-[(E)-2-(3-amino-4-methoxycarbonylphenyl)ethenyl]pyridine-2-carboxylate
CID 176914411
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
CID 163377018
methyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326
methyl 3-amino-5-cyclopropyloxypyridine-2-carboxylate
CID 169231845
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 2-amino-5-chloro-4-(2,4,6-trifluorophenyl)benzoate
CID 156507011
methane;methyl 2-amino-4,5-difluorobenzoate;methyl 4,5-difluoro-2-nitrobenzoate
CID 157070624
methyl 2-amino-4-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate (CID 154951895) is methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate is COC(=O)c1cc(F)c(-c2cnc(C(=O)OC)c(N)c2)cc1N.
What is the InChIKey of methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate?
The InChIKey is VQYIBZXHHGZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-22-14(20)9-4-10(16)8(5-11(9)17)7-3-12(18)13(19-6-7)15(21)23-2/h3-6H,17-18H2,1-2H3.
What are the key properties of methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate?
methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate has a molecular weight of 319.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 154951895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).