(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one

C14H8Cl2N2O — CID 45486338

IUPAC(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2Cl)/C1=C\c1ccncc1
InChIInChI=1S/C14H8Cl2N2O/c15-11-2-1-9-10(7-8-3-5-17-6-4-8)14(19)18-13(9)12(11)16/h1-7H,(H,18,19)/b10-7+
InChIKeyPZTNREWJRCVTLK-JXMROGBWSA-N
MW291.14 g/mol
LogP3.88
Rot. Bonds1

About (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one

(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one (PubChem CID 45486338) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
PubChem CID45486338
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2Cl)/C1=C\c1ccncc1
InChIInChI=1S/C14H8Cl2N2O/c15-11-2-1-9-10(7-8-3-5-17-6-4-8)14(19)18-13(9)12(11)16/h1-7H,(H,18,19)/b10-7+
InChIKeyPZTNREWJRCVTLK-JXMROGBWSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one (CID 45486338) is (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one is O=C1Nc2c(ccc(Cl)c2Cl)/C1=C\c1ccncc1.
What is the InChIKey of (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one?
The InChIKey is PZTNREWJRCVTLK-JXMROGBWSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-2-1-9-10(7-8-3-5-17-6-4-8)14(19)18-13(9)12(11)16/h1-7H,(H,18,19)/b10-7+.
What are the key properties of (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one?
(3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one has a molecular weight of 291.14 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6,7-dichloro-3-(pyridin-4-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 45486338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).