(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

C19H15Cl2NO3 — CID 159995881

IUPAC(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(O)c1O)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H15Cl2NO3/c20-12-2-1-10-7-11-9-22(6-5-13(11)15(10)8-12)19(25)14-3-4-16(21)18(24)17(14)23/h1-4,8,23-24H,5-7,9H2
InChIKeyOHNNNKUQYDPUDI-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.26
Rot. Bonds1

About (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (PubChem CID 159995881) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
PubChem CID159995881
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(O)c1O)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H15Cl2NO3/c20-12-2-1-10-7-11-9-22(6-5-13(11)15(10)8-12)19(25)14-3-4-16(21)18(24)17(14)23/h1-4,8,23-24H,5-7,9H2
InChIKeyOHNNNKUQYDPUDI-UHFFFAOYSA-N
XLogP4.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 160679379
2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
CID 157136545
(5-chloro-2-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115532907
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
CID 157115806
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,5-dichlorobenzamide
CID 16942842
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The IUPAC name of (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (CID 159995881) is (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.
What is the SMILES notation for (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The canonical SMILES for (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is O=C(c1ccc(Cl)c(O)c1O)N1CCC2=C(Cc3ccc(Cl)cc32)C1.
What is the InChIKey of (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The InChIKey is OHNNNKUQYDPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c20-12-2-1-10-7-11-9-22(6-5-13(11)15(10)8-12)19(25)14-3-4-16(21)18(24)17(14)23/h1-4,8,23-24H,5-7,9H2.
What are the key properties of (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone has a molecular weight of 376.24 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is sourced from PubChem (CID 159995881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).