4-chloro-1,2-dihydropyridin-6-amine

C5H7ClN2 — CID 144800101

IUPAC4-chloro-1,2-dihydropyridin-6-amine
SMILESNC1=CC(Cl)=CCN1
InChIInChI=1S/C5H7ClN2/c6-4-1-2-8-5(7)3-4/h1,3,8H,2,7H2
InChIKeyYUAUWWIWKBPPRB-UHFFFAOYSA-N
MW130.58 g/mol
LogP0.51
Rot. Bonds

About 4-chloro-1,2-dihydropyridin-6-amine

4-chloro-1,2-dihydropyridin-6-amine (PubChem CID 144800101) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-chloro-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-chloro-1,2-dihydropyridin-6-amine
PubChem CID144800101
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-chloro-1,2-dihydropyridin-6-amine
SMILESNC1=CC(Cl)=CCN1
InChIInChI=1S/C5H7ClN2/c6-4-1-2-8-5(7)3-4/h1,3,8H,2,7H2
InChIKeyYUAUWWIWKBPPRB-UHFFFAOYSA-N
XLogP0.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-dihydropyridin-6-amine?
The IUPAC name of 4-chloro-1,2-dihydropyridin-6-amine (CID 144800101) is 4-chloro-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 4-chloro-1,2-dihydropyridin-6-amine?
The canonical SMILES for 4-chloro-1,2-dihydropyridin-6-amine is NC1=CC(Cl)=CCN1.
What is the InChIKey of 4-chloro-1,2-dihydropyridin-6-amine?
The InChIKey is YUAUWWIWKBPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-4-1-2-8-5(7)3-4/h1,3,8H,2,7H2.
What are the key properties of 4-chloro-1,2-dihydropyridin-6-amine?
4-chloro-1,2-dihydropyridin-6-amine has a molecular weight of 130.58 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 144800101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).