4,6-dichloro-2-ethylpyridine-3-carboxylic acid

C8H7Cl2NO2 — CID 122407739

IUPAC4,6-dichloro-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C8H7Cl2NO2/c1-2-5-7(8(12)13)4(9)3-6(10)11-5/h3H,2H2,1H3,(H,12,13)
InChIKeyOJXHTHKJEXBJET-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.65
Rot. Bonds2

About 4,6-dichloro-2-ethylpyridine-3-carboxylic acid

4,6-dichloro-2-ethylpyridine-3-carboxylic acid (PubChem CID 122407739) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 4,6-dichloro-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-ethylpyridine-3-carboxylic acid
PubChem CID122407739
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name4,6-dichloro-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C8H7Cl2NO2/c1-2-5-7(8(12)13)4(9)3-6(10)11-5/h3H,2H2,1H3,(H,12,13)
InChIKeyOJXHTHKJEXBJET-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
1-(2,4,6-trichloro-3-pyridinyl)propan-1-one
CID 167053835
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909
4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 162361663
6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
CID 60984819
2-(3-bromo-4,6-dichloro-2-pyridinyl)acetic acid
CID 174457480
2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
4-chloro-2-ethyl-7-methoxyquinoline-3-carboxylic acid
CID 53401269
2-chloro-4-methyl-6-propylbenzoic acid
CID 142472953
4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 162361619
5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrazole-4-carboxylic acid
CID 43328249
2-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118832704

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-ethylpyridine-3-carboxylic acid (CID 122407739) is 4,6-dichloro-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-ethylpyridine-3-carboxylic acid is CCc1nc(Cl)cc(Cl)c1C(=O)O.
What is the InChIKey of 4,6-dichloro-2-ethylpyridine-3-carboxylic acid?
The InChIKey is OJXHTHKJEXBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-2-5-7(8(12)13)4(9)3-6(10)11-5/h3H,2H2,1H3,(H,12,13).
What are the key properties of 4,6-dichloro-2-ethylpyridine-3-carboxylic acid?
4,6-dichloro-2-ethylpyridine-3-carboxylic acid has a molecular weight of 220.05 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 122407739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).