3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid

C9H9Cl2NO2 — CID 166584147

IUPAC3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1cc(Cl)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C9H9Cl2NO2/c1-4(2)6-3-5(10)7(11)8(12-6)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyMSQNBLTYXBEXAO-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.21
Rot. Bonds2

About 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid

3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid (PubChem CID 166584147) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid
PubChem CID166584147
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1cc(Cl)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C9H9Cl2NO2/c1-4(2)6-3-5(10)7(11)8(12-6)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyMSQNBLTYXBEXAO-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid (CID 166584147) is 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid is CC(C)c1cc(Cl)c(Cl)c(C(=O)O)n1.
What is the InChIKey of 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid?
The InChIKey is MSQNBLTYXBEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-4(2)6-3-5(10)7(11)8(12-6)9(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid?
3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid has a molecular weight of 234.08 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6-propan-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 166584147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).