3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide

C12H8ClF2N3O — CID 107060553

IUPAC3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C12H8ClF2N3O/c13-10-7(11(16)17)3-4-18-12(10)19-6-1-2-8(14)9(15)5-6/h1-5H,(H3,16,17)
InChIKeyKFRUXIKVECVSRX-UHFFFAOYSA-N
MW283.67 g/mol
LogP3.09
Rot. Bonds3

About 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide

3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide (PubChem CID 107060553) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
PubChem CID107060553
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC Name3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C12H8ClF2N3O/c13-10-7(11(16)17)3-4-18-12(10)19-6-1-2-8(14)9(15)5-6/h1-5H,(H3,16,17)
InChIKeyKFRUXIKVECVSRX-UHFFFAOYSA-N
XLogP3.09
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 53.09
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-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
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-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide
CID 107169461
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-phenylmethoxypyridine-4-carboximidamide
CID 107060468
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide (CID 107060553) is 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide?
The InChIKey is KFRUXIKVECVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c13-10-7(11(16)17)3-4-18-12(10)19-6-1-2-8(14)9(15)5-6/h1-5H,(H3,16,17).
What are the key properties of 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide?
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide has a molecular weight of 283.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).