5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile

C22H13Cl2N3O3 — CID 102222603

IUPAC5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile
SMILESCOc1ccc2[nH]cc(-c3ncc(C(=O)c4cc(Cl)cc(Cl)c4O)cc3C#N)c2c1
InChIInChI=1S/C22H13Cl2N3O3/c1-30-14-2-3-19-15(7-14)17(10-26-19)20-11(8-25)4-12(9-27-20)21(28)16-5-13(23)6-18(24)22(16)29/h2-7,9-10,26,29H,1H3
InChIKeyNSXQDRNTUWPAED-UHFFFAOYSA-N
MW438.27 g/mol
LogP5.35
Rot. Bonds4

About 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile

5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 102222603) has the molecular formula C22H13Cl2N3O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile
PubChem CID102222603
Molecular FormulaC22H13Cl2N3O3
Molecular Weight438.27 g/mol
Exact Mass437.03
IUPAC Name5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile
SMILESCOc1ccc2[nH]cc(-c3ncc(C(=O)c4cc(Cl)cc(Cl)c4O)cc3C#N)c2c1
InChIInChI=1S/C22H13Cl2N3O3/c1-30-14-2-3-19-15(7-14)17(10-26-19)20-11(8-25)4-12(9-27-20)21(28)16-5-13(23)6-18(24)22(16)29/h2-7,9-10,26,29H,1H3
InChIKeyNSXQDRNTUWPAED-UHFFFAOYSA-N
XLogP5.35
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.27
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 102222596
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
CID 123591416
5-(5-methoxy-1H-indol-3-yl)-2H-triazole-4-carbonitrile
CID 137146928
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 2125434
4-[2-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethoxy]benzonitrile
CID 3319388
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile (CID 102222603) is 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile is COc1ccc2[nH]cc(-c3ncc(C(=O)c4cc(Cl)cc(Cl)c4O)cc3C#N)c2c1.
What is the InChIKey of 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile?
The InChIKey is NSXQDRNTUWPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N3O3/c1-30-14-2-3-19-15(7-14)17(10-26-19)20-11(8-25)4-12(9-27-20)21(28)16-5-13(23)6-18(24)22(16)29/h2-7,9-10,26,29H,1H3.
What are the key properties of 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile?
5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 438.27 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 102222603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).