2-chloro-3-formylpyridine-4-carboxylic acid

C7H4ClNO3 — CID 70700634

IUPAC2-chloro-3-formylpyridine-4-carboxylic acid
SMILESO=Cc1c(C(=O)O)ccnc1Cl
InChIInChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12)
InChIKeyQZOUCFCTUUEITK-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.25
Rot. Bonds2

About 2-chloro-3-formylpyridine-4-carboxylic acid

2-chloro-3-formylpyridine-4-carboxylic acid (PubChem CID 70700634) has the molecular formula C7H4ClNO3 and a molecular weight of 185.57 g/mol. Its IUPAC name is 2-chloro-3-formylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-formylpyridine-4-carboxylic acid
PubChem CID70700634
Molecular FormulaC7H4ClNO3
Molecular Weight185.57 g/mol
Exact Mass184.99
IUPAC Name2-chloro-3-formylpyridine-4-carboxylic acid
SMILESO=Cc1c(C(=O)O)ccnc1Cl
InChIInChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12)
InChIKeyQZOUCFCTUUEITK-UHFFFAOYSA-N
XLogP1.25
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-formylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-3-formylpyridine-4-carboxylic acid (CID 70700634) is 2-chloro-3-formylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-formylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-formylpyridine-4-carboxylic acid is O=Cc1c(C(=O)O)ccnc1Cl.
What is the InChIKey of 2-chloro-3-formylpyridine-4-carboxylic acid?
The InChIKey is QZOUCFCTUUEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12).
What are the key properties of 2-chloro-3-formylpyridine-4-carboxylic acid?
2-chloro-3-formylpyridine-4-carboxylic acid has a molecular weight of 185.57 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-formylpyridine-4-carboxylic acid is sourced from PubChem (CID 70700634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).