(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone

C16H10Cl2N6O — CID 15462764

IUPAC(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)c1[nH]c2cc(Cl)ccc2c1Cc1nn[nH]n1
InChIInChI=1S/C16H10Cl2N6O/c17-8-1-2-10-11(7-14-21-23-24-22-14)15(20-12(10)5-8)16(25)13-6-9(18)3-4-19-13/h1-6,20H,7H2,(H,21,22,23,24)
InChIKeyXGJCPOAIGKLXMH-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.20
Rot. Bonds4

About (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone

(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone (PubChem CID 15462764) has the molecular formula C16H10Cl2N6O and a molecular weight of 373.20 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone
PubChem CID15462764
Molecular FormulaC16H10Cl2N6O
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)c1[nH]c2cc(Cl)ccc2c1Cc1nn[nH]n1
InChIInChI=1S/C16H10Cl2N6O/c17-8-1-2-10-11(7-14-21-23-24-22-14)15(20-12(10)5-8)16(25)13-6-9(18)3-4-19-13/h1-6,20H,7H2,(H,21,22,23,24)
InChIKeyXGJCPOAIGKLXMH-UHFFFAOYSA-N
XLogP3.20
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone (CID 15462764) is (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone is O=C(c1cc(Cl)ccn1)c1[nH]c2cc(Cl)ccc2c1Cc1nn[nH]n1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone?
The InChIKey is XGJCPOAIGKLXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6O/c17-8-1-2-10-11(7-14-21-23-24-22-14)15(20-12(10)5-8)16(25)13-6-9(18)3-4-19-13/h1-6,20H,7H2,(H,21,22,23,24).
What are the key properties of (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone?
(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone has a molecular weight of 373.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 15462764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).