2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid

C12H7Cl2F2N3O3 — CID 175165883

IUPAC2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid
SMILESNc1c(Cl)c(F)nc(OC(F)(C(=O)O)c2ccccn2)c1Cl
InChIInChI=1S/C12H7Cl2F2N3O3/c13-6-8(17)7(14)10(19-9(6)15)22-12(16,11(20)21)5-3-1-2-4-18-5/h1-4H,(H2,17,19)(H,20,21)
InChIKeyIVSQOIZCZVYHNV-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.79
Rot. Bonds4

About 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid

2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid (PubChem CID 175165883) has the molecular formula C12H7Cl2F2N3O3 and a molecular weight of 350.11 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid
PubChem CID175165883
Molecular FormulaC12H7Cl2F2N3O3
Molecular Weight350.11 g/mol
Exact Mass348.98
IUPAC Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid
SMILESNc1c(Cl)c(F)nc(OC(F)(C(=O)O)c2ccccn2)c1Cl
InChIInChI=1S/C12H7Cl2F2N3O3/c13-6-8(17)7(14)10(19-9(6)15)22-12(16,11(20)21)5-3-1-2-4-18-5/h1-4H,(H2,17,19)(H,20,21)
InChIKeyIVSQOIZCZVYHNV-UHFFFAOYSA-N
XLogP2.79
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(benzhydrylideneamino) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082661
S-[[2-(trifluoromethyl)phenyl]methyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082556
[2-oxo-2-(N-[4-(trifluoromethyl)phenyl]anilino)ethyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082553
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
S-(pyridin-4-ylmethyl) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082673
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469
fluoro(pyridin-2-yl)methanediamine
CID 67406744
(3-methylphenyl)methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082625
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
S-[(4-methylphenyl)methyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082555

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid (CID 175165883) is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid is Nc1c(Cl)c(F)nc(OC(F)(C(=O)O)c2ccccn2)c1Cl.
What is the InChIKey of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid?
The InChIKey is IVSQOIZCZVYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N3O3/c13-6-8(17)7(14)10(19-9(6)15)22-12(16,11(20)21)5-3-1-2-4-18-5/h1-4H,(H2,17,19)(H,20,21).
What are the key properties of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid?
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid has a molecular weight of 350.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-fluoro-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 175165883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).