4-prop-1-enylpyridine-2-carboximidamide;hydrochloride

C9H12ClN3 — CID 168731037

IUPAC4-prop-1-enylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C=CC)ccn1
InChIInChI=1S/C9H11N3.ClH/c1-2-3-7-4-5-12-8(6-7)9(10)11;/h2-6H,1H3,(H3,10,11);1H
InChIKeyZFBJERVKTOBLEI-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.82
Rot. Bonds2

About 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride

4-prop-1-enylpyridine-2-carboximidamide;hydrochloride (PubChem CID 168731037) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-prop-1-enylpyridine-2-carboximidamide;hydrochloride
PubChem CID168731037
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-prop-1-enylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C=CC)ccn1
InChIInChI=1S/C9H11N3.ClH/c1-2-3-7-4-5-12-8(6-7)9(10)11;/h2-6H,1H3,(H3,10,11);1H
InChIKeyZFBJERVKTOBLEI-UHFFFAOYSA-N
XLogP1.82
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methanimidoylpyridine-2-carboximidamide
CID 57062712
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen
CID 144650380
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 62924444
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride (CID 168731037) is 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(C=CC)ccn1.
What is the InChIKey of 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride?
The InChIKey is ZFBJERVKTOBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.ClH/c1-2-3-7-4-5-12-8(6-7)9(10)11;/h2-6H,1H3,(H3,10,11);1H.
What are the key properties of 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride?
4-prop-1-enylpyridine-2-carboximidamide;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enylpyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 168731037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).