2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid

C8H7BrF2N2O2 — CID 130102225

IUPAC2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cc(Br)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C8H7BrF2N2O2/c9-3-1-4(12)5(2-6(14)15)13-7(3)8(10)11/h1,8H,2,12H2,(H,14,15)
InChIKeyRRMDRDSXVPRSCA-UHFFFAOYSA-N
MW281.06 g/mol
LogP1.99
Rot. Bonds3

About 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid

2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130102225) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130102225
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cc(Br)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C8H7BrF2N2O2/c9-3-1-4(12)5(2-6(14)15)13-7(3)8(10)11/h1,8H,2,12H2,(H,14,15)
InChIKeyRRMDRDSXVPRSCA-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130102225) is 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid is Nc1cc(Br)c(C(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is RRMDRDSXVPRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c9-3-1-4(12)5(2-6(14)15)13-7(3)8(10)11/h1,8H,2,12H2,(H,14,15).
What are the key properties of 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 281.06 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130102225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).