5-(3-chloroprop-1-enyl)pyridine-2,3-diamine

C8H10ClN3 — CID 169477134

IUPAC5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
SMILESNc1cc(C=CCCl)cnc1N
InChIInChI=1S/C8H10ClN3/c9-3-1-2-6-4-7(10)8(11)12-5-6/h1-2,4-5H,3,10H2,(H2,11,12)
InChIKeyNGHGBJJZOTUKAR-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.50
Rot. Bonds2

About 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine

5-(3-chloroprop-1-enyl)pyridine-2,3-diamine (PubChem CID 169477134) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
PubChem CID169477134
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
SMILESNc1cc(C=CCCl)cnc1N
InChIInChI=1S/C8H10ClN3/c9-3-1-2-6-4-7(10)8(11)12-5-6/h1-2,4-5H,3,10H2,(H2,11,12)
InChIKeyNGHGBJJZOTUKAR-UHFFFAOYSA-N
XLogP1.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3-chloroprop-1-enyl)pyridin-3-amine
CID 169476974
2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
CID 170481970
4-(3-chloroprop-1-enyl)-2-ethylaniline
CID 169477351
5-(3-chloroprop-1-enyl)-4-methylpyridine-2,3-diamine
CID 169477443
6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169477478
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
CID 169463667
[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
CID 169477097
5-(3-chloroprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
CID 169477696
6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
CID 169476998
3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
CID 169477673
5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
CID 169477771

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine?
The IUPAC name of 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine (CID 169477134) is 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine?
The canonical SMILES for 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine is Nc1cc(C=CCCl)cnc1N.
What is the InChIKey of 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine?
The InChIKey is NGHGBJJZOTUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-3-1-2-6-4-7(10)8(11)12-5-6/h1-2,4-5H,3,10H2,(H2,11,12).
What are the key properties of 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine?
5-(3-chloroprop-1-enyl)pyridine-2,3-diamine has a molecular weight of 183.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroprop-1-enyl)pyridine-2,3-diamine is sourced from PubChem (CID 169477134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).