methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate

C8H7BrF2N2O2 — CID 130102197

IUPACmethyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)ncc(N)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8(14)5-4(7(10)11)3(12)2-13-6(5)9/h2,7H,12H2,1H3
InChIKeyWZJONOXTAWUCHT-UHFFFAOYSA-N
MW281.06 g/mol
LogP2.15
Rot. Bonds2

About methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate

methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130102197) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130102197
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Namemethyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)ncc(N)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8(14)5-4(7(10)11)3(12)2-13-6(5)9/h2,7H,12H2,1H3
InChIKeyWZJONOXTAWUCHT-UHFFFAOYSA-N
XLogP2.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134671936
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134675665
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
methyl 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate (CID 130102197) is methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(Br)ncc(N)c1C(F)F.
What is the InChIKey of methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is WZJONOXTAWUCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-15-8(14)5-4(7(10)11)3(12)2-13-6(5)9/h2,7H,12H2,1H3.
What are the key properties of methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate?
methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 281.06 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130102197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).