5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid

C8H7BrF2N2O2 — CID 130070168

IUPAC5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1cnc(Br)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)4(8(14)15)3(1-12)2-13-6/h2,7H,1,12H2,(H,14,15)
InChIKeyAJLCWBFWOMHYNZ-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.94
Rot. Bonds3

About 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid

5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130070168) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID130070168
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1cnc(Br)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)4(8(14)15)3(1-12)2-13-6/h2,7H,1,12H2,(H,14,15)
InChIKeyAJLCWBFWOMHYNZ-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'}

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Related Compounds

2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070162
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid (CID 130070168) is 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid is NCc1cnc(Br)c(C(F)F)c1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is AJLCWBFWOMHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c9-6-5(7(10)11)4(8(14)15)3(1-12)2-13-6/h2,7H,1,12H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-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 5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130070168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).