2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid

C8H5BrClF2NO2 — CID 130108376

IUPAC2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Br)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H5BrClF2NO2/c9-4-2-13-7(8(11)12)6(10)3(4)1-5(14)15/h2,8H,1H2,(H,14,15)
InChIKeyKTUQVRBZGJFTLS-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds3

About 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid

2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 130108376) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID130108376
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Br)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H5BrClF2NO2/c9-4-2-13-7(8(11)12)6(10)3(4)1-5(14)15/h2,8H,1H2,(H,14,15)
InChIKeyKTUQVRBZGJFTLS-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[5-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070464
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
CID 130069517
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (CID 130108376) is 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1c(Br)cnc(C(F)F)c1Cl.
What is the InChIKey of 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is KTUQVRBZGJFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c9-4-2-13-7(8(11)12)6(10)3(4)1-5(14)15/h2,8H,1H2,(H,14,15).
What are the key properties of 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 300.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 130108376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).