N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid

C21H19F3N3O2Pt- — CID 91867201

IUPACN-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid
SMILESCNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C15H14F3N2.C6H5NO2.Pt/c1-10-5-12(8-13(6-10)15(16,17)18)14-7-11(9-19-2)3-4-20-14;8-6(9)5-3-1-2-4-7-5;/h3-7,19H,9H2,1-2H3;1-4H,(H,8,9);/q-1;;
InChIKeyHZOTXPFCTSYFNO-UHFFFAOYSA-N
MW597.47 g/mol
LogP4.37
Rot. Bonds4

About N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid

N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid (PubChem CID 91867201) has the molecular formula C21H19F3N3O2Pt- and a molecular weight of 597.47 g/mol. Its IUPAC name is N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid
PubChem CID91867201
Molecular FormulaC21H19F3N3O2Pt-
Molecular Weight597.47 g/mol
Exact Mass597.11
IUPAC NameN-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid
SMILESCNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2)c1.O=C(O)c1ccccn1.[Pt]
InChIInChI=1S/C15H14F3N2.C6H5NO2.Pt/c1-10-5-12(8-13(6-10)15(16,17)18)14-7-11(9-19-2)3-4-20-14;8-6(9)5-3-1-2-4-7-5;/h3-7,19H,9H2,1-2H3;1-4H,(H,8,9);/q-1;;
InChIKeyHZOTXPFCTSYFNO-UHFFFAOYSA-N
XLogP4.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-(4,6-difluorophenyl)pyridinato-C2,N)(picolinato)iridium(III)
CID 71306701
[3,4'-Bipyridine]-2'-carboxylic acid
CID 46316068
Benzenemethanamine, alpha-phenyl-, 2-pyridinecarboxylate
CID 3075103
(4,4'-Bipyridine)-2-carboxylic acid
CID 46316069
[3,3'-Bipyridine]-6-carboxylic acid
CID 46316070
5-(1,1,2-Trifluoroethyl)pyridine-2-carboxylic acid
CID 142789603
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9-plumbabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594208

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid?
The IUPAC name of N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid (CID 91867201) is N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid.
What is the SMILES notation for N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid?
The canonical SMILES for N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid is CNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2)c1.O=C(O)c1ccccn1.[Pt].
What is the InChIKey of N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid?
The InChIKey is HZOTXPFCTSYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N2.C6H5NO2.Pt/c1-10-5-12(8-13(6-10)15(16,17)18)14-7-11(9-19-2)3-4-20-14;8-6(9)5-3-1-2-4-7-5;/h3-7,19H,9H2,1-2H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid?
N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid has a molecular weight of 597.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanamine;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 91867201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).