3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde

C8H9ClN2O — CID 146629095

IUPAC3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
SMILESCCc1cc(Cl)nc(C=O)c1N
InChIInChI=1S/C8H9ClN2O/c1-2-5-3-7(9)11-6(4-12)8(5)10/h3-4H,2,10H2,1H3
InChIKeyFSPSBZWHDYBBCV-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.69
Rot. Bonds2

About 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde

3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde (PubChem CID 146629095) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
PubChem CID146629095
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
SMILESCCc1cc(Cl)nc(C=O)c1N
InChIInChI=1S/C8H9ClN2O/c1-2-5-3-7(9)11-6(4-12)8(5)10/h3-4H,2,10H2,1H3
InChIKeyFSPSBZWHDYBBCV-UHFFFAOYSA-N
XLogP1.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.69
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-chloro-4-ethylpyridine-2-carbaldehyde?
The IUPAC name of 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde (CID 146629095) is 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde is CCc1cc(Cl)nc(C=O)c1N.
What is the InChIKey of 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde?
The InChIKey is FSPSBZWHDYBBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-5-3-7(9)11-6(4-12)8(5)10/h3-4H,2,10H2,1H3.
What are the key properties of 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde?
3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde has a molecular weight of 184.63 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde is sourced from PubChem (CID 146629095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).