4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid

C8H7BrF2N2O2 — CID 130070162

IUPAC4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1c(C(=O)O)cnc(Br)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)3(1-12)4(2-13-6)8(14)15/h2,7H,1,12H2,(H,14,15)
InChIKeyUNAQAFRORXSDMZ-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.94
Rot. Bonds3

About 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid

4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 130070162) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID130070162
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1c(C(=O)O)cnc(Br)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)3(1-12)4(2-13-6)8(14)15/h2,7H,1,12H2,(H,14,15)
InChIKeyUNAQAFRORXSDMZ-UHFFFAOYSA-N
XLogP1.94
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
6-bromo-5-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118998250
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 118990825
[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
CID 130109451
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid (CID 130070162) is 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid is NCc1c(C(=O)O)cnc(Br)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is UNAQAFRORXSDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)3(1-12)4(2-13-6)8(14)15/h2,7H,1,12H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid?
4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 281.06 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 130070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).