2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide

C14H14ClN3 — CID 22416542

IUPAC2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1CCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c15-12-6-2-1-4-10(12)7-8-13-11(14(16)17)5-3-9-18-13/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyOESKBPDWJLOCHI-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide

2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide (PubChem CID 22416542) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
PubChem CID22416542
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1CCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c15-12-6-2-1-4-10(12)7-8-13-11(14(16)17)5-3-9-18-13/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyOESKBPDWJLOCHI-UHFFFAOYSA-N
XLogP2.80
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.80
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

2-(2-chlorophenyl)pyridine-3-carboximidamide
CID 151921655
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516
2-[(2-chlorophenyl)methoxy]pyridine-4-carboximidamide
CID 24709387
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide (CID 22416542) is 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1CCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide?
The InChIKey is OESKBPDWJLOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-12-6-2-1-4-10(12)7-8-13-11(14(16)17)5-3-9-18-13/h1-6,9H,7-8H2,(H3,16,17).
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide?
2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide has a molecular weight of 259.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide is sourced from PubChem (CID 22416542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).