2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide

C13H12ClN3O — CID 114323465

IUPAC2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccccn1
InChIInChI=1S/C13H12ClN3O/c14-10-5-3-6-11(12(10)13(15)16)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H3,15,16)
InChIKeyDNLDHRNNCIMYGD-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide

2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide (PubChem CID 114323465) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
PubChem CID114323465
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccccn1
InChIInChI=1S/C13H12ClN3O/c14-10-5-3-6-11(12(10)13(15)16)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H3,15,16)
InChIKeyDNLDHRNNCIMYGD-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

2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
CID 113277395
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide
CID 114323489
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
2-chloro-6-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]benzenecarboximidamide
CID 114323523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide (CID 114323465) is 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCc1ccccn1.
What is the InChIKey of 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is DNLDHRNNCIMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-5-3-6-11(12(10)13(15)16)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H3,15,16).
What are the key properties of 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide?
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide 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 2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 114323465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).