2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid

C8H7ClN2O3 — CID 174660968

IUPAC2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CC=NO)nc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-7-6(8(12)13)2-1-5(11-7)3-4-10-14/h1-2,4,14H,3H2,(H,12,13)
InChIKeyAQMJDMGLQRNZSN-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.44
Rot. Bonds3

About 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid

2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid (PubChem CID 174660968) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid
PubChem CID174660968
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CC=NO)nc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-7-6(8(12)13)2-1-5(11-7)3-4-10-14/h1-2,4,14H,3H2,(H,12,13)
InChIKeyAQMJDMGLQRNZSN-UHFFFAOYSA-N
XLogP1.44
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid (CID 174660968) is 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CC=NO)nc1Cl.
What is the InChIKey of 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid?
The InChIKey is AQMJDMGLQRNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-7-6(8(12)13)2-1-5(11-7)3-4-10-14/h1-2,4,14H,3H2,(H,12,13).
What are the key properties of 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid?
2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid has a molecular weight of 214.61 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 174660968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).