(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C18H17ClN2O — CID 2330560

IUPAC(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C\C(=O)c2cccnc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C18H17ClN2O/c1-18(2)13-8-4-5-9-14(13)21(3)16(18)11-15(22)12-7-6-10-20-17(12)19/h4-11H,1-3H3/b16-11-
InChIKeyFXDMGSXKECSUHS-WJDWOHSUSA-N
MW312.80 g/mol
LogP4.23
Rot. Bonds2

About (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 2330560) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID2330560
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C\C(=O)c2cccnc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C18H17ClN2O/c1-18(2)13-8-4-5-9-14(13)21(3)16(18)11-15(22)12-7-6-10-20-17(12)19/h4-11H,1-3H3/b16-11-
InChIKeyFXDMGSXKECSUHS-WJDWOHSUSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Jwh 203
CID 44397500
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
2-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-phenylindolin-2-one
CID 54586674
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
CID 9906770
UR-144 N-(5-chloropentyl) analog
CID 90464183
(1-(2-(Pyridin-3-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11493987
(1-(2-(Pyridin-4-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11551962
(1-(Pyridin-4-ylmethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626625
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-(3-phenylpropyl)indolin-2-one
CID 54581834
(E)-1-benzyl-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54583770
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54585611

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 2330560) is (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CN1/C(=C\C(=O)c2cccnc2Cl)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is FXDMGSXKECSUHS-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-18(2)13-8-4-5-9-14(13)21(3)16(18)11-15(22)12-7-6-10-20-17(12)19/h4-11H,1-3H3/b16-11-.
What are the key properties of (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
(2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 312.80 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(2-chloro-3-pyridinyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 2330560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).