3-chloro-2-phenylmethoxypyridine-4-carboximidamide

C13H12ClN3O — CID 107060468

IUPAC3-chloro-2-phenylmethoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCc2ccccc2)c1Cl
InChIInChI=1S/C13H12ClN3O/c14-11-10(12(15)16)6-7-17-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16)
InChIKeyVHQIAYFOTVYDIJ-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-2-phenylmethoxypyridine-4-carboximidamide

3-chloro-2-phenylmethoxypyridine-4-carboximidamide (PubChem CID 107060468) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-2-phenylmethoxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-phenylmethoxypyridine-4-carboximidamide
PubChem CID107060468
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-chloro-2-phenylmethoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCc2ccccc2)c1Cl
InChIInChI=1S/C13H12ClN3O/c14-11-10(12(15)16)6-7-17-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16)
InChIKeyVHQIAYFOTVYDIJ-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

3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylmethoxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-phenylmethoxypyridine-4-carboximidamide (CID 107060468) is 3-chloro-2-phenylmethoxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-phenylmethoxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-phenylmethoxypyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCc2ccccc2)c1Cl.
What is the InChIKey of 3-chloro-2-phenylmethoxypyridine-4-carboximidamide?
The InChIKey is VHQIAYFOTVYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-10(12(15)16)6-7-17-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16).
What are the key properties of 3-chloro-2-phenylmethoxypyridine-4-carboximidamide?
3-chloro-2-phenylmethoxypyridine-4-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 3-chloro-2-phenylmethoxypyridine-4-carboximidamide is sourced from PubChem (CID 107060468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).