[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol

C10H9F3N2O2S — CID 146364506

IUPAC[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(O)O)sc2n1
InChIInChI=1S/C10H9F3N2O2S/c1-3-2-4(10(11,12)13)5-6(14)7(9(16)17)18-8(5)15-3/h2,9,16-17H,14H2,1H3
InChIKeyXWDPUQYEMUSPJP-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.19
Rot. Bonds1

About [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol

[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol (PubChem CID 146364506) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol.

Molecular Properties

Compound Name[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol
PubChem CID146364506
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(O)O)sc2n1
InChIInChI=1S/C10H9F3N2O2S/c1-3-2-4(10(11,12)13)5-6(14)7(9(16)17)18-8(5)15-3/h2,9,16-17H,14H2,1H3
InChIKeyXWDPUQYEMUSPJP-UHFFFAOYSA-N
XLogP2.19
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol?
The IUPAC name of [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol (CID 146364506) is [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol.
What is the SMILES notation for [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol?
The canonical SMILES for [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol is Cc1cc(C(F)(F)F)c2c(N)c(C(O)O)sc2n1.
What is the InChIKey of [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol?
The InChIKey is XWDPUQYEMUSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-3-2-4(10(11,12)13)5-6(14)7(9(16)17)18-8(5)15-3/h2,9,16-17H,14H2,1H3.
What are the key properties of [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol?
[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol has a molecular weight of 278.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanediol is sourced from PubChem (CID 146364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).