3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid

C7H3BrF3NO2 — CID 130109731

IUPAC3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cnc(C(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO2/c8-4-3(7(13)14)2(9)1-12-5(4)6(10)11/h1,6H,(H,13,14)
InChIKeyNXWOMBZNZQMLQD-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.62
Rot. Bonds2

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

3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 130109731) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID130109731
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Name3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cnc(C(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO2/c8-4-3(7(13)14)2(9)1-12-5(4)6(10)11/h1,6H,(H,13,14)
InChIKeyNXWOMBZNZQMLQD-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130104265
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carboxylic acid
CID 118837564
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
2-bromo-5-fluoro-3-methylpyridine-4-carboxylic acid
CID 167728562
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130096484
2-(difluoromethyl)-3-fluoro-5-iodopyridine-4-carboxylic acid
CID 118837172
4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 118817125
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (CID 130109731) is 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is O=C(O)c1c(F)cnc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is NXWOMBZNZQMLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-4-3(7(13)14)2(9)1-12-5(4)6(10)11/h1,6H,(H,13,14).
What are the key properties of 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid has a molecular weight of 270.00 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 130109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).