CID 59355527

C12H5BrF3N — CID 59355527

IUPAC—
SMILES[CH]c1nc2cc(C(F)(F)F)ccc2c(Br)c1[CH]
InChIInChI=1S/C12H5BrF3N/c1-6-7(2)17-10-5-8(12(14,15)16)3-4-9(10)11(6)13/h1-5H
InChIKeyDONUGDDYMKPWER-UHFFFAOYSA-N
MW300.08 g/mol
LogP4.13
Rot. Bonds

About CID 59355527

CID 59355527 (PubChem CID 59355527) has the molecular formula C12H5BrF3N and a molecular weight of 300.08 g/mol.

Molecular Properties

Compound NameCID 59355527
PubChem CID59355527
Molecular FormulaC12H5BrF3N
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name—
SMILES[CH]c1nc2cc(C(F)(F)F)ccc2c(Br)c1[CH]
InChIInChI=1S/C12H5BrF3N/c1-6-7(2)17-10-5-8(12(14,15)16)3-4-9(10)11(6)13/h1-5H
InChIKeyDONUGDDYMKPWER-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59355527?
The IUPAC name of CID 59355527 (CID 59355527) is not available.
What is the SMILES notation for CID 59355527?
The canonical SMILES for CID 59355527 is [CH]c1nc2cc(C(F)(F)F)ccc2c(Br)c1[CH].
What is the InChIKey of CID 59355527?
The InChIKey is DONUGDDYMKPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF3N/c1-6-7(2)17-10-5-8(12(14,15)16)3-4-9(10)11(6)13/h1-5H.
What are the key properties of CID 59355527?
CID 59355527 has a molecular weight of 300.08 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59355527 is sourced from PubChem (CID 59355527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).