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

C8H7BrF2N2O2 — CID 130102191

IUPACmethyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(N)c1Br
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8(14)6-4(9)5(12)3(2-13-6)7(10)11/h2,7H,1H3,(H2,12,13)
InChIKeyRONYKCRPGODRMI-UHFFFAOYSA-N
MW281.06 g/mol
LogP2.15
Rot. Bonds2

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

methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 130102191) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
PubChem CID130102191
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Namemethyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)c(N)c1Br
InChIInChI=1S/C8H7BrF2N2O2/c1-15-8(14)6-4(9)5(12)3(2-13-6)7(10)11/h2,7H,1H3,(H2,12,13)
InChIKeyRONYKCRPGODRMI-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

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Related Compounds

methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
methyl 5-(aminomethyl)-3-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134671855
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate (CID 130102191) is methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1ncc(C(F)F)c(N)c1Br.
What is the InChIKey of methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is RONYKCRPGODRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-15-8(14)6-4(9)5(12)3(2-13-6)7(10)11/h2,7H,1H3,(H2,12,13).
What are the key properties of methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-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 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130102191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).