3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide

C13H11ClFN3O — CID 107060638

IUPAC3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(F)c(C)c2)c1Cl
InChIInChI=1S/C13H11ClFN3O/c1-7-6-8(2-3-10(7)15)19-13-11(14)9(12(16)17)4-5-18-13/h2-6H,1H3,(H3,16,17)
InChIKeyGQVSLXUGUBIODH-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide

3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide (PubChem CID 107060638) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
PubChem CID107060638
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(F)c(C)c2)c1Cl
InChIInChI=1S/C13H11ClFN3O/c1-7-6-8(2-3-10(7)15)19-13-11(14)9(12(16)17)4-5-18-13/h2-6H,1H3,(H3,16,17)
InChIKeyGQVSLXUGUBIODH-UHFFFAOYSA-N
XLogP3.26
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.26
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-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide
CID 107169461
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide (CID 107060638) is 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(F)c(C)c2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide?
The InChIKey is GQVSLXUGUBIODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-6-8(2-3-10(7)15)19-13-11(14)9(12(16)17)4-5-18-13/h2-6H,1H3,(H3,16,17).
What are the key properties of 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide?
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide has a molecular weight of 279.70 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).