3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine

C10H12F2N2 — CID 130632036

IUPAC3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1ncc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyQSKGXPYVWOAIMM-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.74
Rot. Bonds4

About 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine

3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine (PubChem CID 130632036) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
PubChem CID130632036
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1ncc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyQSKGXPYVWOAIMM-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine (CID 130632036) is 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine is C=C(CC)CNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The InChIKey is QSKGXPYVWOAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine has a molecular weight of 198.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine is sourced from PubChem (CID 130632036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).