4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine

C9H6F4N2S — CID 139266948

IUPAC4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1csc2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C9H6F4N2S/c10-7(11)3-1-5(8(12)13)15-9-6(3)4(14)2-16-9/h1-2,7-8H,14H2
InChIKeyHPXNVDKWTIDIPE-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.75
Rot. Bonds2

About 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine

4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 139266948) has the molecular formula C9H6F4N2S and a molecular weight of 250.22 g/mol. Its IUPAC name is 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID139266948
Molecular FormulaC9H6F4N2S
Molecular Weight250.22 g/mol
Exact Mass250.02
IUPAC Name4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1csc2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C9H6F4N2S/c10-7(11)3-1-5(8(12)13)15-9-6(3)4(14)2-16-9/h1-2,7-8H,14H2
InChIKeyHPXNVDKWTIDIPE-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 139266948) is 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine is Nc1csc2nc(C(F)F)cc(C(F)F)c12.
What is the InChIKey of 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is HPXNVDKWTIDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2S/c10-7(11)3-1-5(8(12)13)15-9-6(3)4(14)2-16-9/h1-2,7-8H,14H2.
What are the key properties of 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine?
4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 250.22 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 139266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).