6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid

C15H14ClNO5 — CID 139673554

IUPAC6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2c(C)ccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C15H14ClNO5/c1-8-4-5-10(16)13(15(18)19)14(8)22-12-7-9(20-2)6-11(17-12)21-3/h4-7H,1-3H3,(H,18,19)
InChIKeyQHLIVFDUFMBDKL-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.55
Rot. Bonds5

About 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid

6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid (PubChem CID 139673554) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid
PubChem CID139673554
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2c(C)ccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C15H14ClNO5/c1-8-4-5-10(16)13(15(18)19)14(8)22-12-7-9(20-2)6-11(17-12)21-3/h4-7H,1-3H3,(H,18,19)
InChIKeyQHLIVFDUFMBDKL-UHFFFAOYSA-N
XLogP3.55
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-3-methylbenzoic acid
CID 167726128
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
CID 3446565
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
CID 69231966
2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(1H-pyrrol-2-yl)benzoic acid
CID 70423004
6-chloro-2-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluorobenzoic acid;propan-2-amine
CID 67735937
2-chloro-5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331229
2-chloro-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]benzoic acid
CID 115972944
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 139270209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid?
The IUPAC name of 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid (CID 139673554) is 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid.
What is the SMILES notation for 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid?
The canonical SMILES for 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid is COc1cc(OC)nc(Oc2c(C)ccc(Cl)c2C(=O)O)c1.
What is the InChIKey of 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid?
The InChIKey is QHLIVFDUFMBDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-8-4-5-10(16)13(15(18)19)14(8)22-12-7-9(20-2)6-11(17-12)21-3/h4-7H,1-3H3,(H,18,19).
What are the key properties of 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid?
6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid has a molecular weight of 323.73 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid is sourced from PubChem (CID 139673554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).