6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen

C9H12N2O — CID 143883951

IUPAC6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen
SMILESO=Cc1ccc(NC2CC2)nc1.[H][H]
InChIInChI=1S/C9H10N2O.H2/c12-6-7-1-4-9(10-5-7)11-8-2-3-8;/h1,4-6,8H,2-3H2,(H,10,11);1H
InChIKeyYQNPJNILSUUISZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.71
Rot. Bonds3

About 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen

6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen (PubChem CID 143883951) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen.

Molecular Properties

Compound Name6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen
PubChem CID143883951
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen
SMILESO=Cc1ccc(NC2CC2)nc1.[H][H]
InChIInChI=1S/C9H10N2O.H2/c12-6-7-1-4-9(10-5-7)11-8-2-3-8;/h1,4-6,8H,2-3H2,(H,10,11);1H
InChIKeyYQNPJNILSUUISZ-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.71
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

N-cyclopropyl-5-ethenylpyridin-2-amine
CID 74788138
6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
CID 167863799
6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
CID 89101111
2-N-cyclopropylpyridine-2,5-diamine
CID 16776026
N-cyclopropyl-5-fluoropyridin-2-amine
CID 61313330
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
4-(cyclopropylamino)benzaldehyde
CID 83815728
3-[6-(piperidin-4-ylamino)-3-pyridinyl]prop-2-enoic acid;dihydrochloride
CID 68965366
5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen
CID 143849995
6-cyclopropylpyridine-3-carbaldehyde
CID 45083600
2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
CID 115027180

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen?
The IUPAC name of 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen (CID 143883951) is 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen.
What is the SMILES notation for 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen?
The canonical SMILES for 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen is O=Cc1ccc(NC2CC2)nc1.[H][H].
What is the InChIKey of 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen?
The InChIKey is YQNPJNILSUUISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.H2/c12-6-7-1-4-9(10-5-7)11-8-2-3-8;/h1,4-6,8H,2-3H2,(H,10,11);1H.
What are the key properties of 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen?
6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen has a molecular weight of 164.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen is sourced from PubChem (CID 143883951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).