6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid

C7H5BrF2N2O2 — CID 119008053

IUPAC6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)c(Br)cc1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)6(11)12-4(3)7(13)14/h1,5H,(H2,11,12)(H,13,14)
InChIKeyKNVBOODGJAATDA-UHFFFAOYSA-N
MW267.03 g/mol
LogP2.06
Rot. Bonds2

About 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid

6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 119008053) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID119008053
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)c(Br)cc1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)6(11)12-4(3)7(13)14/h1,5H,(H2,11,12)(H,13,14)
InChIKeyKNVBOODGJAATDA-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

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Related Compounds

3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130102887
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid (CID 119008053) is 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid is Nc1nc(C(=O)O)c(Br)cc1C(F)F.
What is the InChIKey of 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is KNVBOODGJAATDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)6(11)12-4(3)7(13)14/h1,5H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-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-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119008053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).