3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine

C11H11F2N3S — CID 114074409

IUPAC3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
SMILESCc1ccc(CNc2nc(N)c(F)cc2F)s1
InChIInChI=1S/C11H11F2N3S/c1-6-2-3-7(17-6)5-15-11-9(13)4-8(12)10(14)16-11/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyDDXBDWDZNOMFBU-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.92
Rot. Bonds3

About 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine

3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 114074409) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
PubChem CID114074409
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
SMILESCc1ccc(CNc2nc(N)c(F)cc2F)s1
InChIInChI=1S/C11H11F2N3S/c1-6-2-3-7(17-6)5-15-11-9(13)4-8(12)10(14)16-11/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyDDXBDWDZNOMFBU-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine (CID 114074409) is 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine is Cc1ccc(CNc2nc(N)c(F)cc2F)s1.
What is the InChIKey of 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is DDXBDWDZNOMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-6-2-3-7(17-6)5-15-11-9(13)4-8(12)10(14)16-11/h2-4H,5H2,1H3,(H3,14,15,16).
What are the key properties of 3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine?
3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 255.29 g/mol, XLogP of 2.92, 3 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-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 114074409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).