4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid

C8H5Cl2NO4 — CID 141464391

IUPAC4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ncc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C8H5Cl2NO4/c1-15-8(14)6-4(7(12)13)5(10)3(9)2-11-6/h2H,1H3,(H,12,13)
InChIKeyHJMSTWIRBNXGNP-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.87
Rot. Bonds2

About 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid

4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid (PubChem CID 141464391) has the molecular formula C8H5Cl2NO4 and a molecular weight of 250.04 g/mol. Its IUPAC name is 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
PubChem CID141464391
Molecular FormulaC8H5Cl2NO4
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ncc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C8H5Cl2NO4/c1-15-8(14)6-4(7(12)13)5(10)3(9)2-11-6/h2H,1H3,(H,12,13)
InChIKeyHJMSTWIRBNXGNP-UHFFFAOYSA-N
XLogP1.87
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 141464389
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
(4-methoxycarbonylphenyl) 3,4,5-trichloropyridine-2-carboxylate
CID 8961342
methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
CID 67975081
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
CID 170992761

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid (CID 141464391) is 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid is COC(=O)c1ncc(Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is HJMSTWIRBNXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO4/c1-15-8(14)6-4(7(12)13)5(10)3(9)2-11-6/h2H,1H3,(H,12,13).
What are the key properties of 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid?
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 250.04 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 141464391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).