5-chloro-1,2-dihydropyridin-6-amine;ethane

C7H13ClN2 — CID 153366774

IUPAC5-chloro-1,2-dihydropyridin-6-amine;ethane
SMILESCC.NC1=C(Cl)C=CCN1
InChIInChI=1S/C5H7ClN2.C2H6/c6-4-2-1-3-8-5(4)7;1-2/h1-2,8H,3,7H2;1-2H3
InChIKeyHLTHXJJZEMXQMR-UHFFFAOYSA-N
MW160.65 g/mol
LogP1.54
Rot. Bonds

About 5-chloro-1,2-dihydropyridin-6-amine;ethane

5-chloro-1,2-dihydropyridin-6-amine;ethane (PubChem CID 153366774) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 5-chloro-1,2-dihydropyridin-6-amine;ethane.

Molecular Properties

Compound Name5-chloro-1,2-dihydropyridin-6-amine;ethane
PubChem CID153366774
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name5-chloro-1,2-dihydropyridin-6-amine;ethane
SMILESCC.NC1=C(Cl)C=CCN1
InChIInChI=1S/C5H7ClN2.C2H6/c6-4-2-1-3-8-5(4)7;1-2/h1-2,8H,3,7H2;1-2H3
InChIKeyHLTHXJJZEMXQMR-UHFFFAOYSA-N
XLogP1.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dihydropyridin-6-amine;ethane?
The IUPAC name of 5-chloro-1,2-dihydropyridin-6-amine;ethane (CID 153366774) is 5-chloro-1,2-dihydropyridin-6-amine;ethane.
What is the SMILES notation for 5-chloro-1,2-dihydropyridin-6-amine;ethane?
The canonical SMILES for 5-chloro-1,2-dihydropyridin-6-amine;ethane is CC.NC1=C(Cl)C=CCN1.
What is the InChIKey of 5-chloro-1,2-dihydropyridin-6-amine;ethane?
The InChIKey is HLTHXJJZEMXQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2.C2H6/c6-4-2-1-3-8-5(4)7;1-2/h1-2,8H,3,7H2;1-2H3.
What are the key properties of 5-chloro-1,2-dihydropyridin-6-amine;ethane?
5-chloro-1,2-dihydropyridin-6-amine;ethane has a molecular weight of 160.65 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dihydropyridin-6-amine;ethane is sourced from PubChem (CID 153366774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).