4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)

C28H22F6N2O2Pt — CID 58401598

IUPAC4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C14H11F3NO.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2
InChIKeyKTBGFJMEULSHAM-UHFFFAOYSA-N
MW727.56 g/mol
LogP7.25
Rot. Bonds4

About 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)

4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401598) has the molecular formula C28H22F6N2O2Pt and a molecular weight of 727.56 g/mol. Its IUPAC name is 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

Compound Name4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
PubChem CID58401598
Molecular FormulaC28H22F6N2O2Pt
Molecular Weight727.56 g/mol
Exact Mass727.12
IUPAC Name4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
SMILESCOc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C14H11F3NO.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2
InChIKeyKTBGFJMEULSHAM-UHFFFAOYSA-N
XLogP7.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.56
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
CID 156580852
[2-(4-Fluoro-2-methoxyphenyl)pyridin-4-yl]methanol
CID 50962480
[(3S,4R)-4-pyridin-4-yl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 110202661
1,6-Bis[(3-fluoro-4-methoxy-phenyl)methylene]-3,8-bis(4-pyridyl)-4,9-dioxa-1$l^{5},2,6$l^{5},7-tetraza-5$l^{4}-cobaltaspiro[4.4]nona-2,7-diene
CID 135542206
1-Ethynyl-4-methoxybenzene;platinum(2+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
CID 139261387
2-[Difluoro-(4-methoxyphenyl)methyl]-4-pyridin-2-ylpyridine
CID 168351624
3-[5-(4-Methoxyphenyl)-4-methyl-2-pyridyl]-propan-1-ol
CID 12051003
3-[1-[[3-(Trifluoromethoxy)phenyl]methyl]pyridin-1-ium-4-yl]propan-1-ol
CID 23835436
2-[1-(2-Fluoro-4-methoxybenzyl)-4-(4-pyridinylmethyl)-2-piperazinyl]ethanol
CID 45184683
2-[1-(2-Fluoro-4-methoxybenzyl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 45199401
2-[1-(2-Fluoro-4-methoxybenzyl)-4-(2-pyridinylmethyl)-2-piperazinyl]ethanol
CID 45222305

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?
The IUPAC name of 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) (CID 58401598) is 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+).
What is the SMILES notation for 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?
The canonical SMILES for 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) is COc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2].
What is the InChIKey of 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?
The InChIKey is KTBGFJMEULSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11F3NO.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2.
What are the key properties of 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)?
4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 727.56 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).