3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H16F2N2O — CID 66937075

IUPAC3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2nc(F)ccc2F)CCOCC1
InChIInChI=1S/C12H16F2N2O/c1-12(4-6-17-7-5-12)8-15-11-9(13)2-3-10(14)16-11/h2-3H,4-8H2,1H3,(H,15,16)
InChIKeyKRJNLUBPOYXUEH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.59
Rot. Bonds3

About 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 66937075) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID66937075
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2nc(F)ccc2F)CCOCC1
InChIInChI=1S/C12H16F2N2O/c1-12(4-6-17-7-5-12)8-15-11-9(13)2-3-10(14)16-11/h2-3H,4-8H2,1H3,(H,15,16)
InChIKeyKRJNLUBPOYXUEH-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 66937075) is 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2nc(F)ccc2F)CCOCC1.
What is the InChIKey of 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is KRJNLUBPOYXUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-12(4-6-17-7-5-12)8-15-11-9(13)2-3-10(14)16-11/h2-3H,4-8H2,1H3,(H,15,16).
What are the key properties of 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 66937075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).