2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid

C14H10Cl3NO3 — CID 134636431

IUPAC2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESCOc1nc(CC(=O)O)ccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-21-14-9(3-2-8(18-14)6-12(19)20)13-10(16)4-7(15)5-11(13)17/h2-5H,6H2,1H3,(H,19,20)
InChIKeySHDOGHDGNCOLBW-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.34
Rot. Bonds4

About 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid

2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 134636431) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID134636431
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESCOc1nc(CC(=O)O)ccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-21-14-9(3-2-8(18-14)6-12(19)20)13-10(16)4-7(15)5-11(13)17/h2-5H,6H2,1H3,(H,19,20)
InChIKeySHDOGHDGNCOLBW-UHFFFAOYSA-N
XLogP4.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-5-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134631383
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
[6-methoxy-3-(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134636475
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
methyl 2-(5,7-dichloroquinolin-2-yl)acetate
CID 82247403
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134617493

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid (CID 134636431) is 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid is COc1nc(CC(=O)O)ccc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is SHDOGHDGNCOLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-21-14-9(3-2-8(18-14)6-12(19)20)13-10(16)4-7(15)5-11(13)17/h2-5H,6H2,1H3,(H,19,20).
What are the key properties of 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid?
2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 346.60 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-(2,4,6-trichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134636431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).