3-amino-6-chloropyridine-2-carbaldehyde

C6H5ClN2O — CID 57461139

IUPAC3-amino-6-chloropyridine-2-carbaldehyde
SMILESNc1ccc(Cl)nc1C=O
InChIInChI=1S/C6H5ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-3H,8H2
InChIKeyHAHGVQYASHKXSS-UHFFFAOYSA-N
MW156.57 g/mol
LogP1.13
Rot. Bonds1

About 3-amino-6-chloropyridine-2-carbaldehyde

3-amino-6-chloropyridine-2-carbaldehyde (PubChem CID 57461139) has the molecular formula C6H5ClN2O and a molecular weight of 156.57 g/mol. Its IUPAC name is 3-amino-6-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-chloropyridine-2-carbaldehyde
PubChem CID57461139
Molecular FormulaC6H5ClN2O
Molecular Weight156.57 g/mol
Exact Mass156.01
IUPAC Name3-amino-6-chloropyridine-2-carbaldehyde
SMILESNc1ccc(Cl)nc1C=O
InChIInChI=1S/C6H5ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-3H,8H2
InChIKeyHAHGVQYASHKXSS-UHFFFAOYSA-N
XLogP1.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 51.13
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 3-amino-6-chloropyridine-2-carbaldehyde?
The IUPAC name of 3-amino-6-chloropyridine-2-carbaldehyde (CID 57461139) is 3-amino-6-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-chloropyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-chloropyridine-2-carbaldehyde is Nc1ccc(Cl)nc1C=O.
What is the InChIKey of 3-amino-6-chloropyridine-2-carbaldehyde?
The InChIKey is HAHGVQYASHKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-3H,8H2.
What are the key properties of 3-amino-6-chloropyridine-2-carbaldehyde?
3-amino-6-chloropyridine-2-carbaldehyde has a molecular weight of 156.57 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 57461139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).