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

C8H3BrF2N2O2 — CID 118993248

IUPAC2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(F)F)nc(Br)c1C(=O)O
InChIInChI=1S/C8H3BrF2N2O2/c9-6-5(8(14)15)3(2-12)1-4(13-6)7(10)11/h1,7H,(H,14,15)
InChIKeyBXZHHJZBLDEZDG-UHFFFAOYSA-N
MW277.02 g/mol
LogP2.35
Rot. Bonds2

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

2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118993248) has the molecular formula C8H3BrF2N2O2 and a molecular weight of 277.02 g/mol. Its IUPAC name is 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID118993248
Molecular FormulaC8H3BrF2N2O2
Molecular Weight277.02 g/mol
Exact Mass275.93
IUPAC Name2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(F)F)nc(Br)c1C(=O)O
InChIInChI=1S/C8H3BrF2N2O2/c9-6-5(8(14)15)3(2-12)1-4(13-6)7(10)11/h1,7H,(H,14,15)
InChIKeyBXZHHJZBLDEZDG-UHFFFAOYSA-N
XLogP2.35
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.02
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
CID 119018264
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
3-chloro-4-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071335
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
2-(bromomethyl)-3-cyano-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 130078991
methyl 2-[2-bromo-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 171029553
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118838596
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
4-amino-3-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 118829125
2-bromo-6-cyano-4-fluorobenzoic acid
CID 119007082

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid (CID 118993248) is 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid is N#Cc1cc(C(F)F)nc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is BXZHHJZBLDEZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O2/c9-6-5(8(14)15)3(2-12)1-4(13-6)7(10)11/h1,7H,(H,14,15).
What are the key properties of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid?
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 277.02 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118993248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).