3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine

C8H11F2N3O — CID 58796416

IUPAC3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
SMILESCOCCNc1nc(N)c(F)cc1F
InChIInChI=1S/C8H11F2N3O/c1-14-3-2-12-8-6(10)4-5(9)7(11)13-8/h4H,2-3H2,1H3,(H3,11,12,13)
InChIKeyIPHHKJJCMKJQKU-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.00
Rot. Bonds4

About 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine

3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine (PubChem CID 58796416) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
PubChem CID58796416
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
SMILESCOCCNc1nc(N)c(F)cc1F
InChIInChI=1S/C8H11F2N3O/c1-14-3-2-12-8-6(10)4-5(9)7(11)13-8/h4H,2-3H2,1H3,(H3,11,12,13)
InChIKeyIPHHKJJCMKJQKU-UHFFFAOYSA-N
XLogP1.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine (CID 58796416) is 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine is COCCNc1nc(N)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
The InChIKey is IPHHKJJCMKJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-14-3-2-12-8-6(10)4-5(9)7(11)13-8/h4H,2-3H2,1H3,(H3,11,12,13).
What are the key properties of 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine?
3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine has a molecular weight of 203.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine is sourced from PubChem (CID 58796416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).