6-amino-4-chloropyridine-2-carbaldehyde

C6H5ClN2O — CID 130848875

IUPAC6-amino-4-chloropyridine-2-carbaldehyde
SMILESNc1cc(Cl)cc(C=O)n1
InChIInChI=1S/C6H5ClN2O/c7-4-1-5(3-10)9-6(8)2-4/h1-3H,(H2,8,9)
InChIKeyYBBUUOAGXONFIA-UHFFFAOYSA-N
MW156.57 g/mol
LogP1.13
Rot. Bonds1

About 6-amino-4-chloropyridine-2-carbaldehyde

6-amino-4-chloropyridine-2-carbaldehyde (PubChem CID 130848875) has the molecular formula C6H5ClN2O and a molecular weight of 156.57 g/mol. Its IUPAC name is 6-amino-4-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-4-chloropyridine-2-carbaldehyde
PubChem CID130848875
Molecular FormulaC6H5ClN2O
Molecular Weight156.57 g/mol
Exact Mass156.01
IUPAC Name6-amino-4-chloropyridine-2-carbaldehyde
SMILESNc1cc(Cl)cc(C=O)n1
InChIInChI=1S/C6H5ClN2O/c7-4-1-5(3-10)9-6(8)2-4/h1-3H,(H2,8,9)
InChIKeyYBBUUOAGXONFIA-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118997022
6-(bromomethyl)-4-chloropyridin-2-amine
CID 130705063
4-amino-6-bromopyridine-2-carbaldehyde
CID 46911838
6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
4-chloro-6-(4-methylphenyl)pyridin-2-amine
CID 82393129
6-chloro-4-ethylpyridine-2-carbaldehyde
CID 130115423
2-amino-6-fluoropyridine-4-carbaldehyde
CID 131189118
4-chloroquinoline-2-carbaldehyde
CID 15560685
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
formic acid;6-methylpyrimidine-2,4-diamine
CID 175141048

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-chloropyridine-2-carbaldehyde?
The IUPAC name of 6-amino-4-chloropyridine-2-carbaldehyde (CID 130848875) is 6-amino-4-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-4-chloropyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-4-chloropyridine-2-carbaldehyde is Nc1cc(Cl)cc(C=O)n1.
What is the InChIKey of 6-amino-4-chloropyridine-2-carbaldehyde?
The InChIKey is YBBUUOAGXONFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O/c7-4-1-5(3-10)9-6(8)2-4/h1-3H,(H2,8,9).
What are the key properties of 6-amino-4-chloropyridine-2-carbaldehyde?
6-amino-4-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 6-amino-4-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 130848875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).