2-chloro-2H-pyridin-3-imine

C5H5ClN2 — CID 151984648

IUPAC2-chloro-2H-pyridin-3-imine
SMILES[H]/N=C1\C=CC=NC1Cl
InChIInChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3,5,7H/b7-4+
InChIKeyUDKGAYFTOAWZDR-QPJJXVBHSA-N
MW128.56 g/mol
LogP1.21
Rot. Bonds

About 2-chloro-2H-pyridin-3-imine

2-chloro-2H-pyridin-3-imine (PubChem CID 151984648) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 2-chloro-2H-pyridin-3-imine.

Molecular Properties

Compound Name2-chloro-2H-pyridin-3-imine
PubChem CID151984648
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name2-chloro-2H-pyridin-3-imine
SMILES[H]/N=C1\C=CC=NC1Cl
InChIInChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3,5,7H/b7-4+
InChIKeyUDKGAYFTOAWZDR-QPJJXVBHSA-N
XLogP1.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-2H-pyridin-3-amine
CID 20063622
3-Chloro-2,3-dihydropyridine
CID 20183270
3-Iminopyridine
CID 21332821
2-Chloro-2,3-dihydropyridine
CID 54042964
2-Chloro-6-(chloromethyl)-2,3-dihydropyridine
CID 89105826
2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine
CID 149148946
2-Chloro-2,3-dihydropyridin-4-amine
CID 149364830
[2-(Chloromethyl)-2,3-dihydropyridin-6-yl]methanimine
CID 176930576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2H-pyridin-3-imine?
The IUPAC name of 2-chloro-2H-pyridin-3-imine (CID 151984648) is 2-chloro-2H-pyridin-3-imine.
What is the SMILES notation for 2-chloro-2H-pyridin-3-imine?
The canonical SMILES for 2-chloro-2H-pyridin-3-imine is [H]/N=C1\C=CC=NC1Cl.
What is the InChIKey of 2-chloro-2H-pyridin-3-imine?
The InChIKey is UDKGAYFTOAWZDR-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3,5,7H/b7-4+.
What are the key properties of 2-chloro-2H-pyridin-3-imine?
2-chloro-2H-pyridin-3-imine has a molecular weight of 128.56 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2H-pyridin-3-imine is sourced from PubChem (CID 151984648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).