[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione

C30H17Cl2F6N7O3 — CID 161072586

IUPAC[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1.OCc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C19H10ClF3N4O2.C11H7ClF3N3O/c20-15-8-24-11(5-14(15)10-6-25-18(26-7-10)19(21,22)23)9-27-16(28)12-3-1-2-4-13(12)17(27)29;12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-8H,9H2;1-4,19H,5H2
InChIKeyUEVVDESXFGLESP-UHFFFAOYSA-N
MW708.41 g/mol
LogP6.71
Rot. Bonds5

About [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione

[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 161072586) has the molecular formula C30H17Cl2F6N7O3 and a molecular weight of 708.41 g/mol. Its IUPAC name is [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID161072586
Molecular FormulaC30H17Cl2F6N7O3
Molecular Weight708.41 g/mol
Exact Mass707.07
IUPAC Name[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1.OCc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C19H10ClF3N4O2.C11H7ClF3N3O/c20-15-8-24-11(5-14(15)10-6-25-18(26-7-10)19(21,22)23)9-27-16(28)12-3-1-2-4-13(12)17(27)29;12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-8H,9H2;1-4,19H,5H2
InChIKeyUEVVDESXFGLESP-UHFFFAOYSA-N
XLogP6.71
TPSA134.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.41
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-([5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-yl]methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 118008640
3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one
CID 123283127
2-[[5-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-3-hydroxy-3H-isoindol-1-one
CID 123859188
2-[[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]-3-hydroxy-3H-isoindol-1-one
CID 139563819
[4-[(2S)-4-[7-chloro-6,6-difluoro-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-5H-imidazo[2,1-a][2,7]naphthyridin-8-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone
CID 143279057
2-[[5-Chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione;ethane
CID 144826488
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-[[5-Chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione;2-[(2,5-dichloro-4-pyridinyl)methyl]isoindole-1,3-dione
CID 157363958
[6-Methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
CID 157639814
[5-Chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;2-[[5-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
CID 158027272
[6-[4-(Trifluoromethyl)cyclohexen-1-yl]pyrimidin-4-yl]methanol;2-[[6-[4-(trifluoromethyl)cyclohexen-1-yl]pyrimidin-4-yl]methyl]isoindole-1,3-dione
CID 158209068
5-Chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde;[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol
CID 158486757

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione (CID 161072586) is [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1.OCc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1.
What is the InChIKey of [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is UEVVDESXFGLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4O2.C11H7ClF3N3O/c20-15-8-24-11(5-14(15)10-6-25-18(26-7-10)19(21,22)23)9-27-16(28)12-3-1-2-4-13(12)17(27)29;12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-8H,9H2;1-4,19H,5H2.
What are the key properties of [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 708.41 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanol;2-[[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 161072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).