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

C8H6ClF2NO2 — CID 130095685

IUPAC2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C8H6ClF2NO2/c9-6-3-12-4(2-7(13)14)1-5(6)8(10)11/h1,3,8H,2H2,(H,13,14)
InChIKeyDXCMSFUTAKSTMC-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.30
Rot. Bonds3

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

2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130095685) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130095685
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C8H6ClF2NO2/c9-6-3-12-4(2-7(13)14)1-5(6)8(10)11/h1,3,8H,2H2,(H,13,14)
InChIKeyDXCMSFUTAKSTMC-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130095692
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[2-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 118993349
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130095685) is 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)c(Cl)cn1.
What is the InChIKey of 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is DXCMSFUTAKSTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-6-3-12-4(2-7(13)14)1-5(6)8(10)11/h1,3,8H,2H2,(H,13,14).
What are the key properties of 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 221.59 g/mol, XLogP of 2.30, 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)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130095685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).