4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide

C13H12ClN3O — CID 65126654

IUPAC4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-9(2-4-10)8-18-11-5-6-17-12(7-11)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyOTSQTMVZJYMEOE-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.60
Rot. Bonds4

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

4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide (PubChem CID 65126654) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
PubChem CID65126654
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H12ClN3O/c14-10-3-1-9(2-4-10)8-18-11-5-6-17-12(7-11)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyOTSQTMVZJYMEOE-UHFFFAOYSA-N
XLogP2.60
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.60
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

4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834
4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
CID 55157438
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[[3-(2-chloropyrimidin-4-yl)oxyphenoxy]methyl]benzenecarboximidamide
CID 86622898
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide (CID 65126654) is 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(OCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide?
The InChIKey is OTSQTMVZJYMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-3-1-9(2-4-10)8-18-11-5-6-17-12(7-11)13(15)16/h1-7H,8H2,(H3,15,16).
What are the key properties of 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide?
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide has a molecular weight of 261.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 65126654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).