2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

C9H5BrF2N2O2 — CID 118838596

IUPAC2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(Br)cc(C(F)F)nc1CC(=O)O
InChIInChI=1S/C9H5BrF2N2O2/c10-5-1-7(9(11)12)14-6(2-8(15)16)4(5)3-13/h1,9H,2H2,(H,15,16)
InChIKeyNTKSIESIDPLFQY-UHFFFAOYSA-N
MW291.05 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118838596) has the molecular formula C9H5BrF2N2O2 and a molecular weight of 291.05 g/mol. Its IUPAC name is 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118838596
Molecular FormulaC9H5BrF2N2O2
Molecular Weight291.05 g/mol
Exact Mass289.95
IUPAC Name2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1c(Br)cc(C(F)F)nc1CC(=O)O
InChIInChI=1S/C9H5BrF2N2O2/c10-5-1-7(9(11)12)14-6(2-8(15)16)4(5)3-13/h1,9H,2H2,(H,15,16)
InChIKeyNTKSIESIDPLFQY-UHFFFAOYSA-N
XLogP2.28
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070474
2-(bromomethyl)-3-cyano-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 130078991
2-[3-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133105860
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134676492
methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686434
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 118838596) is 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is N#Cc1c(Br)cc(C(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is NTKSIESIDPLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O2/c10-5-1-7(9(11)12)14-6(2-8(15)16)4(5)3-13/h1,9H,2H2,(H,15,16).
What are the key properties of 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 291.05 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).