2-chloro-N-ethylpyridin-4-amine

C7H9ClN2 — CID 47002920

IUPAC2-chloro-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(Cl)c1
InChIInChI=1S/C7H9ClN2/c1-2-9-6-3-4-10-7(8)5-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyPBKJUFLUKBLLGH-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.17
Rot. Bonds2

About 2-chloro-N-ethylpyridin-4-amine

2-chloro-N-ethylpyridin-4-amine (PubChem CID 47002920) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethylpyridin-4-amine
PubChem CID47002920
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(Cl)c1
InChIInChI=1S/C7H9ClN2/c1-2-9-6-3-4-10-7(8)5-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyPBKJUFLUKBLLGH-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylpyridin-4-amine?
The IUPAC name of 2-chloro-N-ethylpyridin-4-amine (CID 47002920) is 2-chloro-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-ethylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-ethylpyridin-4-amine is CCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-ethylpyridin-4-amine?
The InChIKey is PBKJUFLUKBLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-2-9-6-3-4-10-7(8)5-6/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of 2-chloro-N-ethylpyridin-4-amine?
2-chloro-N-ethylpyridin-4-amine has a molecular weight of 156.62 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylpyridin-4-amine is sourced from PubChem (CID 47002920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).