5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole

C14H10Cl2IN3O — CID 156577917

IUPAC5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
SMILESC[C@H](Oc1ccc2n[nH]c(I)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H10Cl2IN3O/c1-7(13-10(15)5-18-6-11(13)16)21-8-2-3-12-9(4-8)14(17)20-19-12/h2-7H,1H3,(H,19,20)/t7-/m0/s1
InChIKeyMASKCABUWSYOLR-ZETCQYMHSA-N
MW434.06 g/mol
LogP5.01
Rot. Bonds3

About 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole

5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole (PubChem CID 156577917) has the molecular formula C14H10Cl2IN3O and a molecular weight of 434.06 g/mol. Its IUPAC name is 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole.

Molecular Properties

Compound Name5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
PubChem CID156577917
Molecular FormulaC14H10Cl2IN3O
Molecular Weight434.06 g/mol
Exact Mass432.92
IUPAC Name5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
SMILESC[C@H](Oc1ccc2n[nH]c(I)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H10Cl2IN3O/c1-7(13-10(15)5-18-6-11(13)16)21-8-2-3-12-9(4-8)14(17)20-19-12/h2-7H,1H3,(H,19,20)/t7-/m0/s1
InChIKeyMASKCABUWSYOLR-ZETCQYMHSA-N
XLogP5.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.06
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole?
The IUPAC name of 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole (CID 156577917) is 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole.
What is the SMILES notation for 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole?
The canonical SMILES for 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole is C[C@H](Oc1ccc2n[nH]c(I)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole?
The InChIKey is MASKCABUWSYOLR-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H10Cl2IN3O/c1-7(13-10(15)5-18-6-11(13)16)21-8-2-3-12-9(4-8)14(17)20-19-12/h2-7H,1H3,(H,19,20)/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole?
5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole has a molecular weight of 434.06 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole is sourced from PubChem (CID 156577917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).