2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride

C13H13Cl2N3O — CID 82240751

IUPAC2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O.ClH/c14-10-5-3-9(4-6-10)8-18-13-11(12(15)16)2-1-7-17-13;/h1-7H,8H2,(H3,15,16);1H
InChIKeyBFNFVWWIIOVXPU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.02
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride

2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride (PubChem CID 82240751) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
PubChem CID82240751
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O.ClH/c14-10-5-3-9(4-6-10)8-18-13-11(12(15)16)2-1-7-17-13;/h1-7H,8H2,(H3,15,16);1H
InChIKeyBFNFVWWIIOVXPU-UHFFFAOYSA-N
XLogP3.02
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-chlorophenyl)methoxy]pyridine-3-carbothioamide
CID 65126643
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride (CID 82240751) is 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccnc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is BFNFVWWIIOVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O.ClH/c14-10-5-3-9(4-6-10)8-18-13-11(12(15)16)2-1-7-17-13;/h1-7H,8H2,(H3,15,16);1H.
What are the key properties of 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride?
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 298.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 82240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).