2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid

C8H7Cl2NO3 — CID 121279026

IUPAC2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
SMILESCOc1ncc(Cl)c(CC(=O)O)c1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-14-8-7(10)4(2-6(12)13)5(9)3-11-8/h3H,2H2,1H3,(H,12,13)
InChIKeyUJRQVBVGNAXYCU-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.02
Rot. Bonds3

About 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid

2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid (PubChem CID 121279026) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
PubChem CID121279026
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Name2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
SMILESCOc1ncc(Cl)c(CC(=O)O)c1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-14-8-7(10)4(2-6(12)13)5(9)3-11-8/h3H,2H2,1H3,(H,12,13)
InChIKeyUJRQVBVGNAXYCU-UHFFFAOYSA-N
XLogP2.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[3-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]acetic acid
CID 134627185
(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
CID 164890892
methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
CID 155467042
ethyl 2-[5-chloro-3-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 134685478
4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
CID 83893919
2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
CID 166790016
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105497396
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid?
The IUPAC name of 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid (CID 121279026) is 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid is COc1ncc(Cl)c(CC(=O)O)c1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid?
The InChIKey is UJRQVBVGNAXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-14-8-7(10)4(2-6(12)13)5(9)3-11-8/h3H,2H2,1H3,(H,12,13).
What are the key properties of 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid?
2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid has a molecular weight of 236.05 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid is sourced from PubChem (CID 121279026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).