2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol

C10H8Cl2N2O — CID 2804779

IUPAC2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H8Cl2N2O/c1-14-9(2-3-13-14)7-4-6(11)5-8(12)10(7)15/h2-5,15H,1H3
InChIKeyGLPLNMOKYXFEPI-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.10
Rot. Bonds1

About 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol

2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol (PubChem CID 2804779) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol
PubChem CID2804779
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H8Cl2N2O/c1-14-9(2-3-13-14)7-4-6(11)5-8(12)10(7)15/h2-5,15H,1H3
InChIKeyGLPLNMOKYXFEPI-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol?
The IUPAC name of 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol (CID 2804779) is 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol is Cn1nccc1-c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol?
The InChIKey is GLPLNMOKYXFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-14-9(2-3-13-14)7-4-6(11)5-8(12)10(7)15/h2-5,15H,1H3.
What are the key properties of 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol?
2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol has a molecular weight of 243.09 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-methylpyrazol-3-yl)phenol is sourced from PubChem (CID 2804779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).