6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid

C7H5BrF2N2O2 — CID 130102115

IUPAC6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14)
InChIKeyREEHQWPABIRHLY-UHFFFAOYSA-N
MW267.03 g/mol
LogP2.06
Rot. Bonds2

About 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid

6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130102115) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID130102115
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14)
InChIKeyREEHQWPABIRHLY-UHFFFAOYSA-N
XLogP2.06
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid (CID 130102115) is 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(C(F)F)c(Br)n1.
What is the InChIKey of 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is REEHQWPABIRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 267.03 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130102115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).