[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C10H6BrF3N2OS — CID 114204991

IUPAC[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cc(Br)cs2)nc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2OS/c11-6-1-7(18-4-6)9-15-2-5(3-17)8(16-9)10(12,13)14/h1-2,4,17H,3H2
InChIKeyMJMPCANRZAKAMK-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.48
Rot. Bonds2

About [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204991) has the molecular formula C10H6BrF3N2OS and a molecular weight of 339.14 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204991
Molecular FormulaC10H6BrF3N2OS
Molecular Weight339.14 g/mol
Exact Mass337.93
IUPAC Name[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cc(Br)cs2)nc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2OS/c11-6-1-7(18-4-6)9-15-2-5(3-17)8(16-9)10(12,13)14/h1-2,4,17H,3H2
InChIKeyMJMPCANRZAKAMK-UHFFFAOYSA-N
XLogP3.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204991) is [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(-c2cc(Br)cs2)nc1C(F)(F)F.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is MJMPCANRZAKAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2OS/c11-6-1-7(18-4-6)9-15-2-5(3-17)8(16-9)10(12,13)14/h1-2,4,17H,3H2.
What are the key properties of [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 339.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).