1-chloro-2,5-dihydropyridin-6-imine

C5H7ClN2 — CID 91526954

IUPAC1-chloro-2,5-dihydropyridin-6-imine
SMILES[H]/N=C1\CC=CCN1Cl
InChIInChI=1S/C5H7ClN2/c6-8-4-2-1-3-5(8)7/h1-2,7H,3-4H2/b7-5+
InChIKeyDMTFNZGXISWVNI-FNORWQNLSA-N
MW130.58 g/mol
LogP1.38
Rot. Bonds

About 1-chloro-2,5-dihydropyridin-6-imine

1-chloro-2,5-dihydropyridin-6-imine (PubChem CID 91526954) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 1-chloro-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-chloro-2,5-dihydropyridin-6-imine
PubChem CID91526954
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name1-chloro-2,5-dihydropyridin-6-imine
SMILES[H]/N=C1\CC=CCN1Cl
InChIInChI=1S/C5H7ClN2/c6-8-4-2-1-3-5(8)7/h1-2,7H,3-4H2/b7-5+
InChIKeyDMTFNZGXISWVNI-FNORWQNLSA-N
XLogP1.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2,3-dihydropyridin-6-imine
CID 20315456
1,5-Dimethyl-2,5-dihydropyridin-6-imine
CID 56607400
1-Methyl-2,5-dihydropyridin-6-imine
CID 56616795
6-Imino-2,5-dihydropyridin-1-amine
CID 57319571
1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
CID 152747753

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5-dihydropyridin-6-imine?
The IUPAC name of 1-chloro-2,5-dihydropyridin-6-imine (CID 91526954) is 1-chloro-2,5-dihydropyridin-6-imine.
What is the SMILES notation for 1-chloro-2,5-dihydropyridin-6-imine?
The canonical SMILES for 1-chloro-2,5-dihydropyridin-6-imine is [H]/N=C1\CC=CCN1Cl.
What is the InChIKey of 1-chloro-2,5-dihydropyridin-6-imine?
The InChIKey is DMTFNZGXISWVNI-FNORWQNLSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-8-4-2-1-3-5(8)7/h1-2,7H,3-4H2/b7-5+.
What are the key properties of 1-chloro-2,5-dihydropyridin-6-imine?
1-chloro-2,5-dihydropyridin-6-imine has a molecular weight of 130.58 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 91526954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).