2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid

C8H6ClF2NO3 — CID 119004607

IUPAC2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H6ClF2NO3/c9-7-5(15-8(10)11)1-4(3-12-7)2-6(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyWNOYTSGSLYMVMG-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.96
Rot. Bonds4

About 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid

2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 119004607) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID119004607
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H6ClF2NO3/c9-7-5(15-8(10)11)1-4(3-12-7)2-6(13)14/h1,3,8H,2H2,(H,13,14)
InChIKeyWNOYTSGSLYMVMG-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022905
2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
CID 137346925
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
2-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]acetic acid
CID 131870546
2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 131611737
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[5-chloro-3-(difluoromethoxy)-2-nitrophenyl]acetic acid
CID 171007645
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-[4-chloro-3-(difluoromethoxy)phenyl]acetate
CID 131738240
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid (CID 119004607) is 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(Cl)c(OC(F)F)c1.
What is the InChIKey of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is WNOYTSGSLYMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-7-5(15-8(10)11)1-4(3-12-7)2-6(13)14/h1,3,8H,2H2,(H,13,14).
What are the key properties of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid?
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 237.59 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 119004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).