6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine

C15H15F3N2O — CID 141341534

IUPAC6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine
SMILESCOC(C)(C)c1cc(F)c(-c2ncc(N)cc2F)c(F)c1
InChIInChI=1S/C15H15F3N2O/c1-15(2,21-3)8-4-10(16)13(11(17)5-8)14-12(18)6-9(19)7-20-14/h4-7H,19H2,1-3H3
InChIKeyGQEQDYSDNAJADC-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.63
Rot. Bonds3

About 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine

6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine (PubChem CID 141341534) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine
PubChem CID141341534
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine
SMILESCOC(C)(C)c1cc(F)c(-c2ncc(N)cc2F)c(F)c1
InChIInChI=1S/C15H15F3N2O/c1-15(2,21-3)8-4-10(16)13(11(17)5-8)14-12(18)6-9(19)7-20-14/h4-7H,19H2,1-3H3
InChIKeyGQEQDYSDNAJADC-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine?
The IUPAC name of 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine (CID 141341534) is 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine?
The canonical SMILES for 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine is COC(C)(C)c1cc(F)c(-c2ncc(N)cc2F)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine?
The InChIKey is GQEQDYSDNAJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-15(2,21-3)8-4-10(16)13(11(17)5-8)14-12(18)6-9(19)7-20-14/h4-7H,19H2,1-3H3.
What are the key properties of 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine?
6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine has a molecular weight of 296.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 141341534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).