4-carbonochloridoylpyridine-2-carboxylic acid

C7H4ClNO3 — CID 156640763

IUPAC4-carbonochloridoylpyridine-2-carboxylic acid
SMILESO=C(Cl)c1ccnc(C(=O)O)c1
InChIInChI=1S/C7H4ClNO3/c8-6(10)4-1-2-9-5(3-4)7(11)12/h1-3H,(H,11,12)
InChIKeyZTIBBGZZDZSNAP-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.16
Rot. Bonds2

About 4-carbonochloridoylpyridine-2-carboxylic acid

4-carbonochloridoylpyridine-2-carboxylic acid (PubChem CID 156640763) has the molecular formula C7H4ClNO3 and a molecular weight of 185.57 g/mol. Its IUPAC name is 4-carbonochloridoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-carbonochloridoylpyridine-2-carboxylic acid
PubChem CID156640763
Molecular FormulaC7H4ClNO3
Molecular Weight185.57 g/mol
Exact Mass184.99
IUPAC Name4-carbonochloridoylpyridine-2-carboxylic acid
SMILESO=C(Cl)c1ccnc(C(=O)O)c1
InChIInChI=1S/C7H4ClNO3/c8-6(10)4-1-2-9-5(3-4)7(11)12/h1-3H,(H,11,12)
InChIKeyZTIBBGZZDZSNAP-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbonochloridoylpyridine-2-carboxylic acid?
The IUPAC name of 4-carbonochloridoylpyridine-2-carboxylic acid (CID 156640763) is 4-carbonochloridoylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-carbonochloridoylpyridine-2-carboxylic acid?
The canonical SMILES for 4-carbonochloridoylpyridine-2-carboxylic acid is O=C(Cl)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-carbonochloridoylpyridine-2-carboxylic acid?
The InChIKey is ZTIBBGZZDZSNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-6(10)4-1-2-9-5(3-4)7(11)12/h1-3H,(H,11,12).
What are the key properties of 4-carbonochloridoylpyridine-2-carboxylic acid?
4-carbonochloridoylpyridine-2-carboxylic acid has a molecular weight of 185.57 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbonochloridoylpyridine-2-carboxylic acid is sourced from PubChem (CID 156640763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).