6-chloro-3-propylpyridine-2-carboxylic acid

C9H10ClNO2 — CID 84721152

IUPAC6-chloro-3-propylpyridine-2-carboxylic acid
SMILESCCCc1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-2-3-6-4-5-7(10)11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyIEXPSZVTLAJJLJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.39
Rot. Bonds3

About 6-chloro-3-propylpyridine-2-carboxylic acid

6-chloro-3-propylpyridine-2-carboxylic acid (PubChem CID 84721152) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6-chloro-3-propylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-propylpyridine-2-carboxylic acid
PubChem CID84721152
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6-chloro-3-propylpyridine-2-carboxylic acid
SMILESCCCc1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-2-3-6-4-5-7(10)11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyIEXPSZVTLAJJLJ-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-propylpyridine-2-carboxylic acid (CID 84721152) is 6-chloro-3-propylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-propylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-propylpyridine-2-carboxylic acid is CCCc1ccc(Cl)nc1C(=O)O.
What is the InChIKey of 6-chloro-3-propylpyridine-2-carboxylic acid?
The InChIKey is IEXPSZVTLAJJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-3-6-4-5-7(10)11-8(6)9(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-chloro-3-propylpyridine-2-carboxylic acid?
6-chloro-3-propylpyridine-2-carboxylic acid has a molecular weight of 199.64 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propylpyridine-2-carboxylic acid is sourced from PubChem (CID 84721152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).