3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid

C19H13Cl2NO3 — CID 66857600

IUPAC3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1cccc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H13Cl2NO3/c1-11-5-6-12(19(23)24)9-14(11)16-3-2-4-18(22-16)25-17-8-7-13(20)10-15(17)21/h2-10H,1H3,(H,23,24)
InChIKeyCQKGYMSWIXLEPE-UHFFFAOYSA-N
MW374.22 g/mol
LogP5.85
Rot. Bonds4

About 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid

3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid (PubChem CID 66857600) has the molecular formula C19H13Cl2NO3 and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
PubChem CID66857600
Molecular FormulaC19H13Cl2NO3
Molecular Weight374.22 g/mol
Exact Mass373.03
IUPAC Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1cccc(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H13Cl2NO3/c1-11-5-6-12(19(23)24)9-14(11)16-3-2-4-18(22-16)25-17-8-7-13(20)10-15(17)21/h2-10H,1H3,(H,23,24)
InChIKeyCQKGYMSWIXLEPE-UHFFFAOYSA-N
XLogP5.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.22
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
CID 58103338
N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
CID 58103248
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
CID 63591158
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid?
The IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid (CID 66857600) is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1-c1cccc(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid?
The InChIKey is CQKGYMSWIXLEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3/c1-11-5-6-12(19(23)24)9-14(11)16-3-2-4-18(22-16)25-17-8-7-13(20)10-15(17)21/h2-10H,1H3,(H,23,24).
What are the key properties of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid?
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid has a molecular weight of 374.22 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid is sourced from PubChem (CID 66857600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).