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

C5H7ClN2 — CID 144800062

IUPAC3-chloro-1,2-dihydropyridin-6-amine
SMILESNC1=CC=C(Cl)CN1
InChIInChI=1S/C5H7ClN2/c6-4-1-2-5(7)8-3-4/h1-2,8H,3,7H2
InChIKeyXPOIEOHVAVVCTJ-UHFFFAOYSA-N
MW130.58 g/mol
LogP0.51
Rot. Bonds

About 3-chloro-1,2-dihydropyridin-6-amine

3-chloro-1,2-dihydropyridin-6-amine (PubChem CID 144800062) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 3-chloro-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name3-chloro-1,2-dihydropyridin-6-amine
PubChem CID144800062
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name3-chloro-1,2-dihydropyridin-6-amine
SMILESNC1=CC=C(Cl)CN1
InChIInChI=1S/C5H7ClN2/c6-4-1-2-5(7)8-3-4/h1-2,8H,3,7H2
InChIKeyXPOIEOHVAVVCTJ-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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Related Compounds

2-Amino-o-chlorpyridin
CID 22245065
3-Fluoro-1,2-dihydropyridin-6-amine
CID 89751645
3-Chloro-1,2-dihydropyridine
CID 19045909
CID 88222260
CID 88222260
3,5-Dichloro-1,2-dihydropyridin-2-amine
CID 124183190
6-Chloro-1,5-dihydroimidazo[1,2-a]pyridine
CID 130898723
4,6-Dichloro-1,2-dihydropyridin-2-amine
CID 132067677
5-Chloro-1,2-dihydropyridin-6-amine
CID 134460154
4-Chloro-1,2-dihydropyridin-6-amine
CID 144800101
3,6-Dichloro-1,2-dihydropyridine
CID 148287443
2,3-dichloro-1H-pyridin-2-amine
CID 150431324
5-Chloro-1,2-dihydropyridin-6-amine;ethane
CID 153366774

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-dihydropyridin-6-amine?
The IUPAC name of 3-chloro-1,2-dihydropyridin-6-amine (CID 144800062) is 3-chloro-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 3-chloro-1,2-dihydropyridin-6-amine?
The canonical SMILES for 3-chloro-1,2-dihydropyridin-6-amine is NC1=CC=C(Cl)CN1.
What is the InChIKey of 3-chloro-1,2-dihydropyridin-6-amine?
The InChIKey is XPOIEOHVAVVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-4-1-2-5(7)8-3-4/h1-2,8H,3,7H2.
What are the key properties of 3-chloro-1,2-dihydropyridin-6-amine?
3-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 3-chloro-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 144800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).