2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine

C12H11F2N3O — CID 174890051

IUPAC2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine
SMILESCc1nc(OC(F)F)c(N)cc1-c1cccnc1
InChIInChI=1S/C12H11F2N3O/c1-7-9(8-3-2-4-16-6-8)5-10(15)11(17-7)18-12(13)14/h2-6,12H,15H2,1H3
InChIKeyIEQYCPNLSZUBMF-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.64
Rot. Bonds3

About 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine

2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine (PubChem CID 174890051) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine
PubChem CID174890051
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine
SMILESCc1nc(OC(F)F)c(N)cc1-c1cccnc1
InChIInChI=1S/C12H11F2N3O/c1-7-9(8-3-2-4-16-6-8)5-10(15)11(17-7)18-12(13)14/h2-6,12H,15H2,1H3
InChIKeyIEQYCPNLSZUBMF-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine?
The IUPAC name of 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine (CID 174890051) is 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine is Cc1nc(OC(F)F)c(N)cc1-c1cccnc1.
What is the InChIKey of 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine?
The InChIKey is IEQYCPNLSZUBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-9(8-3-2-4-16-6-8)5-10(15)11(17-7)18-12(13)14/h2-6,12H,15H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine?
2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine has a molecular weight of 251.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-methyl-5-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 174890051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).