2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

C14H11Cl2NO3 — CID 60678494

IUPAC2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H11Cl2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyXQJWBBHKMQUQAF-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.50
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60678494) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60678494
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H11Cl2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyXQJWBBHKMQUQAF-UHFFFAOYSA-N
XLogP4.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
CID 141037315
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 60678494) is 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XQJWBBHKMQUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-7-5-8(2)17-13(12(7)14(18)19)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60678494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).