3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine

C17H11Cl2N7 — CID 58179501

IUPAC3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(-c2cccnc2)cc1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2N7/c18-13-4-1-5-14(19)15(13)26-17(23-24-25-26)12-7-11(9-22-16(12)20)10-3-2-6-21-8-10/h1-9H,(H2,20,22)
InChIKeyAOAILWNYFDJJBZ-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.68
Rot. Bonds3

About 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine

3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine (PubChem CID 58179501) has the molecular formula C17H11Cl2N7 and a molecular weight of 384.23 g/mol. Its IUPAC name is 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
PubChem CID58179501
Molecular FormulaC17H11Cl2N7
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(-c2cccnc2)cc1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2N7/c18-13-4-1-5-14(19)15(13)26-17(23-24-25-26)12-7-11(9-22-16(12)20)10-3-2-6-21-8-10/h1-9H,(H2,20,22)
InChIKeyAOAILWNYFDJJBZ-UHFFFAOYSA-N
XLogP3.68
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine (CID 58179501) is 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine is Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The InChIKey is AOAILWNYFDJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N7/c18-13-4-1-5-14(19)15(13)26-17(23-24-25-26)12-7-11(9-22-16(12)20)10-3-2-6-21-8-10/h1-9H,(H2,20,22).
What are the key properties of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine has a molecular weight of 384.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 58179501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).