(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione

C28H18Br2Cl2N4O5 — CID 159503684

IUPAC(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione
SMILESO=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)cc1Cl.OCc1ncc(Br)cc1Cl
InChIInChI=1S/C14H8BrClN2O2.C8H5NO2.C6H5BrClNO/c15-8-5-11(16)12(17-6-8)7-18-13(19)9-3-1-2-4-10(9)14(18)20;10-7-5-3-1-2-4-6(5)8(11)9-7;7-4-1-5(8)6(3-10)9-2-4/h1-6H,7H2;1-4H,(H,9,10,11);1-2,10H,3H2
InChIKeyLZSCDPPBDISRDZ-UHFFFAOYSA-N
MW721.19 g/mol
LogP5.85
Rot. Bonds3

About (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione

(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione (PubChem CID 159503684) has the molecular formula C28H18Br2Cl2N4O5 and a molecular weight of 721.19 g/mol. Its IUPAC name is (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione.

Molecular Properties

Compound Name(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione
PubChem CID159503684
Molecular FormulaC28H18Br2Cl2N4O5
Molecular Weight721.19 g/mol
Exact Mass717.90
IUPAC Name(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione
SMILESO=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)cc1Cl.OCc1ncc(Br)cc1Cl
InChIInChI=1S/C14H8BrClN2O2.C8H5NO2.C6H5BrClNO/c15-8-5-11(16)12(17-6-8)7-18-13(19)9-3-1-2-4-10(9)14(18)20;10-7-5-3-1-2-4-6(5)8(11)9-7;7-4-1-5(8)6(3-10)9-2-4/h1-6H,7H2;1-4H,(H,9,10,11);1-2,10H,3H2
InChIKeyLZSCDPPBDISRDZ-UHFFFAOYSA-N
XLogP5.85
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.19
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione with MolForge

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Related Compounds

2-[[5-Chloro-4-(6-methyl-3-pyridinyl)-2-pyridinyl]methyl]isoindole-1,3-dione;[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;isoindole-1,3-dione
CID 157205483
2-[2-(5-Bromo-3-chloro-2-pyridinyl)-2-hydroxypropyl]isoindole-1,3-dione
CID 141724376
2-[2-(5-Bromo-3-chloro-2-pyridinyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 141724397
(2-Bromo-3-pyridinyl)methanol;isoindole-1,3-dione;2-[(2-methyl-3-pyridinyl)methyl]isoindole-1,3-dione
CID 157596111
(5-Bromo-2-pyridinyl)methanol;2-[(5-bromo-2-pyridinyl)methyl]isoindole-1,3-dione
CID 162210312

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione?
The IUPAC name of (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione (CID 159503684) is (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione.
What is the SMILES notation for (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione?
The canonical SMILES for (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione is O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1ncc(Br)cc1Cl.OCc1ncc(Br)cc1Cl.
What is the InChIKey of (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione?
The InChIKey is LZSCDPPBDISRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2.C8H5NO2.C6H5BrClNO/c15-8-5-11(16)12(17-6-8)7-18-13(19)9-3-1-2-4-10(9)14(18)20;10-7-5-3-1-2-4-6(5)8(11)9-7;7-4-1-5(8)6(3-10)9-2-4/h1-6H,7H2;1-4H,(H,9,10,11);1-2,10H,3H2.
What are the key properties of (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione?
(5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione has a molecular weight of 721.19 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-chloro-2-pyridinyl)methanol;2-[(5-bromo-3-chloro-2-pyridinyl)methyl]isoindole-1,3-dione;isoindole-1,3-dione is sourced from PubChem (CID 159503684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).