2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid

C9H5ClF5NO2 — CID 134684141

IUPAC2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C9H5ClF5NO2/c10-6-5(8(11)12)3(1-4(17)18)2-16-7(6)9(13,14)15/h2,8H,1H2,(H,17,18)
InChIKeyJOJZQFPSOHHYHC-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.32
Rot. Bonds3

About 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 134684141) has the molecular formula C9H5ClF5NO2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID134684141
Molecular FormulaC9H5ClF5NO2
Molecular Weight289.59 g/mol
Exact Mass288.99
IUPAC Name2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C9H5ClF5NO2/c10-6-5(8(11)12)3(1-4(17)18)2-16-7(6)9(13,14)15/h2,8H,1H2,(H,17,18)
InChIKeyJOJZQFPSOHHYHC-UHFFFAOYSA-N
XLogP3.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-[4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118816812
2-[6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118821286
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 131611737
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 134684141) is 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is JOJZQFPSOHHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO2/c10-6-5(8(11)12)3(1-4(17)18)2-16-7(6)9(13,14)15/h2,8H,1H2,(H,17,18).
What are the key properties of 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 289.59 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134684141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).