4,5-dichloro-2-methylindazole-3-carbonitrile;ethane

C11H11Cl2N3 — CID 170759841

IUPAC4,5-dichloro-2-methylindazole-3-carbonitrile;ethane
SMILESCC.Cn1nc2ccc(Cl)c(Cl)c2c1C#N
InChIInChI=1S/C9H5Cl2N3.C2H6/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11;1-2/h2-3H,1H3;1-2H3
InChIKeyRTYSMUJENWQADA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.78
Rot. Bonds

About 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane

4,5-dichloro-2-methylindazole-3-carbonitrile;ethane (PubChem CID 170759841) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane.

Molecular Properties

Compound Name4,5-dichloro-2-methylindazole-3-carbonitrile;ethane
PubChem CID170759841
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4,5-dichloro-2-methylindazole-3-carbonitrile;ethane
SMILESCC.Cn1nc2ccc(Cl)c(Cl)c2c1C#N
InChIInChI=1S/C9H5Cl2N3.C2H6/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11;1-2/h2-3H,1H3;1-2H3
InChIKeyRTYSMUJENWQADA-UHFFFAOYSA-N
XLogP3.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane?
The IUPAC name of 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane (CID 170759841) is 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane.
What is the SMILES notation for 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane?
The canonical SMILES for 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane is CC.Cn1nc2ccc(Cl)c(Cl)c2c1C#N.
What is the InChIKey of 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane?
The InChIKey is RTYSMUJENWQADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3.C2H6/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane?
4,5-dichloro-2-methylindazole-3-carbonitrile;ethane has a molecular weight of 256.14 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methylindazole-3-carbonitrile;ethane is sourced from PubChem (CID 170759841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).