CID 90026141

C14H13BrF2N2O2 — CID 90026141

IUPAC—
SMILESNC1=NC2(c3cc(Br)ccc3OCC23CC3)C(F)(F)CO1
InChIInChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(5-8)14(12(3-4-12)6-20-10)13(16,17)7-21-11(18)19-14/h1-2,5H,3-4,6-7H2,(H2,18,19)
InChIKeyIZCQKTPKYGLDEA-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.80
Rot. Bonds

About CID 90026141

CID 90026141 (PubChem CID 90026141) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol.

Molecular Properties

Compound NameCID 90026141
PubChem CID90026141
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC Name—
SMILESNC1=NC2(c3cc(Br)ccc3OCC23CC3)C(F)(F)CO1
InChIInChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(5-8)14(12(3-4-12)6-20-10)13(16,17)7-21-11(18)19-14/h1-2,5H,3-4,6-7H2,(H2,18,19)
InChIKeyIZCQKTPKYGLDEA-UHFFFAOYSA-N
XLogP2.80
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 90026141?
The IUPAC name of CID 90026141 (CID 90026141) is not available.
What is the SMILES notation for CID 90026141?
The canonical SMILES for CID 90026141 is NC1=NC2(c3cc(Br)ccc3OCC23CC3)C(F)(F)CO1.
What is the InChIKey of CID 90026141?
The InChIKey is IZCQKTPKYGLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c15-8-1-2-10-9(5-8)14(12(3-4-12)6-20-10)13(16,17)7-21-11(18)19-14/h1-2,5H,3-4,6-7H2,(H2,18,19).
What are the key properties of CID 90026141?
CID 90026141 has a molecular weight of 359.17 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90026141 is sourced from PubChem (CID 90026141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).