methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate

C14H13BrFN3O2 — CID 107593608

IUPACmethyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2C)n1
InChIInChI=1S/C14H13BrFN3O2/c1-7-5-9(16)8(15)6-12(7)19-13-10(17)3-4-11(18-13)14(20)21-2/h3-6H,17H2,1-2H3,(H,18,19)
InChIKeyHOGHBKUCTHPXIB-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.40
Rot. Bonds3

About methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate

methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate (PubChem CID 107593608) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
PubChem CID107593608
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC Namemethyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2C)n1
InChIInChI=1S/C14H13BrFN3O2/c1-7-5-9(16)8(15)6-12(7)19-13-10(17)3-4-11(18-13)14(20)21-2/h3-6H,17H2,1-2H3,(H,18,19)
InChIKeyHOGHBKUCTHPXIB-UHFFFAOYSA-N
XLogP3.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
methyl 3-amino-2-(5-bromo-4-fluoro-2-methylanilino)benzoate
CID 107593607
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate (CID 107593608) is methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2C)n1.
What is the InChIKey of methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate?
The InChIKey is HOGHBKUCTHPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-7-5-9(16)8(15)6-12(7)19-13-10(17)3-4-11(18-13)14(20)21-2/h3-6H,17H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate has a molecular weight of 354.18 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 107593608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).