3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate

C13H14Br2F2N6O3 — CID 159313414

IUPAC3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(F)cc1N.N.NC(=O)c1nc(Br)c(F)cc1N
InChIInChI=1S/C7H6BrFN2O2.C6H5BrFN3O.H3N/c1-13-7(12)5-4(10)2-3(9)6(8)11-5;7-5-2(8)1-3(9)4(11-5)6(10)12;/h2H,10H2,1H3;1H,9H2,(H2,10,12);1H3
InChIKeyHIZQWOWPMWFTIC-UHFFFAOYSA-N
MW500.10 g/mol
LogP2.18
Rot. Bonds2

About 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate

3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate (PubChem CID 159313414) has the molecular formula C13H14Br2F2N6O3 and a molecular weight of 500.10 g/mol. Its IUPAC name is 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
PubChem CID159313414
Molecular FormulaC13H14Br2F2N6O3
Molecular Weight500.10 g/mol
Exact Mass497.95
IUPAC Name3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(F)cc1N.N.NC(=O)c1nc(Br)c(F)cc1N
InChIInChI=1S/C7H6BrFN2O2.C6H5BrFN3O.H3N/c1-13-7(12)5-4(10)2-3(9)6(8)11-5;7-5-2(8)1-3(9)4(11-5)6(10)12;/h2H,10H2,1H3;1H,9H2,(H2,10,12);1H3
InChIKeyHIZQWOWPMWFTIC-UHFFFAOYSA-N
XLogP2.18
TPSA182.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.10
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 141395884
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154014203
methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060908
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The IUPAC name of 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate (CID 159313414) is 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The canonical SMILES for 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(Br)c(F)cc1N.N.NC(=O)c1nc(Br)c(F)cc1N.
What is the InChIKey of 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
The InChIKey is HIZQWOWPMWFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2.C6H5BrFN3O.H3N/c1-13-7(12)5-4(10)2-3(9)6(8)11-5;7-5-2(8)1-3(9)4(11-5)6(10)12;/h2H,10H2,1H3;1H,9H2,(H2,10,12);1H3.
What are the key properties of 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate?
3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate has a molecular weight of 500.10 g/mol, XLogP of 2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 159313414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).