2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde

C10H11ClN2O — CID 115027180

IUPAC2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(NC2CCC2)c1
InChIInChI=1S/C10H11ClN2O/c11-9-4-7(6-14)5-10(13-9)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,12,13)
InChIKeyLPPSQQXEJYUSPO-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde

2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde (PubChem CID 115027180) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
PubChem CID115027180
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(NC2CCC2)c1
InChIInChI=1S/C10H11ClN2O/c11-9-4-7(6-14)5-10(13-9)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,12,13)
InChIKeyLPPSQQXEJYUSPO-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.51
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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Related Compounds

6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde
CID 115046372
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen
CID 143883951
6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
CID 115035891
5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
6-chloro-N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 87180480
6-chloro-N-(1,1-dioxothian-4-yl)-2-methylpyrimidin-4-amine
CID 55079915
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde (CID 115027180) is 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde is O=Cc1cc(Cl)nc(NC2CCC2)c1.
What is the InChIKey of 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde?
The InChIKey is LPPSQQXEJYUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-4-7(6-14)5-10(13-9)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,12,13).
What are the key properties of 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde?
2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde has a molecular weight of 210.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde is sourced from PubChem (CID 115027180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).