hypochlorous acid;pyrimidine

C4H5ClN2O — CID 161391603

IUPAChypochlorous acid;pyrimidine
SMILESOCl.c1cncnc1
InChIInChI=1S/C4H4N2.ClHO/c1-2-5-4-6-3-1;1-2/h1-4H;2H
InChIKeyVTBFSWZDBXKKJU-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.61
Rot. Bonds

About hypochlorous acid;pyrimidine

hypochlorous acid;pyrimidine (PubChem CID 161391603) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is hypochlorous acid;pyrimidine.

Molecular Properties

Compound Namehypochlorous acid;pyrimidine
PubChem CID161391603
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Namehypochlorous acid;pyrimidine
SMILESOCl.c1cncnc1
InChIInChI=1S/C4H4N2.ClHO/c1-2-5-4-6-3-1;1-2/h1-4H;2H
InChIKeyVTBFSWZDBXKKJU-UHFFFAOYSA-N
XLogP0.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidine;bis(tungsten(2+))
CID 175709201
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
methanethione;bis(pyrimidine)
CID 174411529
CID 174457230
CID 174457230
iminonickel;pyrimidine
CID 175480865
ethenol;pyrimidine
CID 174498659
pyrimidine;urea;hydrochloride
CID 158909847
diiminoazanium;pyrimidine
CID 174635490

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;pyrimidine?
The IUPAC name of hypochlorous acid;pyrimidine (CID 161391603) is hypochlorous acid;pyrimidine.
What is the SMILES notation for hypochlorous acid;pyrimidine?
The canonical SMILES for hypochlorous acid;pyrimidine is OCl.c1cncnc1.
What is the InChIKey of hypochlorous acid;pyrimidine?
The InChIKey is VTBFSWZDBXKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.ClHO/c1-2-5-4-6-3-1;1-2/h1-4H;2H.
What are the key properties of hypochlorous acid;pyrimidine?
hypochlorous acid;pyrimidine has a molecular weight of 132.55 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;pyrimidine is sourced from PubChem (CID 161391603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).