3-chloro-N'-propylpyridine-2-carboximidamide

C9H12ClN3 — CID 103445396

IUPAC3-chloro-N'-propylpyridine-2-carboximidamide
SMILESCCC/N=C(\N)c1ncccc1Cl
InChIInChI=1S/C9H12ClN3/c1-2-5-13-9(11)8-7(10)4-3-6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,13)
InChIKeyOOXSPHZQEJQKBN-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.85
Rot. Bonds3

About 3-chloro-N'-propylpyridine-2-carboximidamide

3-chloro-N'-propylpyridine-2-carboximidamide (PubChem CID 103445396) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-N'-propylpyridine-2-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-propylpyridine-2-carboximidamide
PubChem CID103445396
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-N'-propylpyridine-2-carboximidamide
SMILESCCC/N=C(\N)c1ncccc1Cl
InChIInChI=1S/C9H12ClN3/c1-2-5-13-9(11)8-7(10)4-3-6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,13)
InChIKeyOOXSPHZQEJQKBN-UHFFFAOYSA-N
XLogP1.85
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-propylpyridine-2-carboximidamide?
The IUPAC name of 3-chloro-N'-propylpyridine-2-carboximidamide (CID 103445396) is 3-chloro-N'-propylpyridine-2-carboximidamide.
What is the SMILES notation for 3-chloro-N'-propylpyridine-2-carboximidamide?
The canonical SMILES for 3-chloro-N'-propylpyridine-2-carboximidamide is CCC/N=C(\N)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N'-propylpyridine-2-carboximidamide?
The InChIKey is OOXSPHZQEJQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-5-13-9(11)8-7(10)4-3-6-12-8/h3-4,6H,2,5H2,1H3,(H2,11,13).
What are the key properties of 3-chloro-N'-propylpyridine-2-carboximidamide?
3-chloro-N'-propylpyridine-2-carboximidamide has a molecular weight of 197.67 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-propylpyridine-2-carboximidamide is sourced from PubChem (CID 103445396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).