5-chloro-1-prop-1-en-2-ylpyridin-2-imine

C8H9ClN2 — CID 123627508

IUPAC5-chloro-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(Cl)cn1C(=C)C
InChIInChI=1S/C8H9ClN2/c1-6(2)11-5-7(9)3-4-8(11)10/h3-5,10H,1H2,2H3/b10-8+
InChIKeyGGBWPCFYVJIJSG-CSKARUKUSA-N
MW168.63 g/mol
LogP2.11
Rot. Bonds1

About 5-chloro-1-prop-1-en-2-ylpyridin-2-imine

5-chloro-1-prop-1-en-2-ylpyridin-2-imine (PubChem CID 123627508) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 5-chloro-1-prop-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name5-chloro-1-prop-1-en-2-ylpyridin-2-imine
PubChem CID123627508
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name5-chloro-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(Cl)cn1C(=C)C
InChIInChI=1S/C8H9ClN2/c1-6(2)11-5-7(9)3-4-8(11)10/h3-5,10H,1H2,2H3/b10-8+
InChIKeyGGBWPCFYVJIJSG-CSKARUKUSA-N
XLogP2.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
N-methylpyridonimine hydrochloride
CID 90654282
Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
5-Chloro-1-methyl-2(1H)-pyridinimine
CID 134594393
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
3-Chloro-1-(1-fluoroethyl)pyridin-2-imine
CID 138643324
1-Ethylpyridin-2(1H)-imine
CID 12924176
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
(Z)-(1-prop-1-en-2-yl-2-pyridinylidene)hydrazine
CID 88940997
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-prop-1-en-2-ylpyridin-2-imine?
The IUPAC name of 5-chloro-1-prop-1-en-2-ylpyridin-2-imine (CID 123627508) is 5-chloro-1-prop-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 5-chloro-1-prop-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 5-chloro-1-prop-1-en-2-ylpyridin-2-imine is [H]/N=c1\ccc(Cl)cn1C(=C)C.
What is the InChIKey of 5-chloro-1-prop-1-en-2-ylpyridin-2-imine?
The InChIKey is GGBWPCFYVJIJSG-CSKARUKUSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-6(2)11-5-7(9)3-4-8(11)10/h3-5,10H,1H2,2H3/b10-8+.
What are the key properties of 5-chloro-1-prop-1-en-2-ylpyridin-2-imine?
5-chloro-1-prop-1-en-2-ylpyridin-2-imine has a molecular weight of 168.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-prop-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 123627508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).