6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine

C19H15F3N4O2 — CID 58645256

IUPAC6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine
SMILESCc1ccc(Cc2ccc([N+](=O)[O-])c(Cc3ccc(C(F)(F)F)cn3)n2)nc1
InChIInChI=1S/C19H15F3N4O2/c1-12-2-4-14(23-10-12)8-16-6-7-18(26(27)28)17(25-16)9-15-5-3-13(11-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3
InChIKeyMASSMTSOGXESOW-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.29
Rot. Bonds5

About 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine

6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine (PubChem CID 58645256) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine
PubChem CID58645256
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine
SMILESCc1ccc(Cc2ccc([N+](=O)[O-])c(Cc3ccc(C(F)(F)F)cn3)n2)nc1
InChIInChI=1S/C19H15F3N4O2/c1-12-2-4-14(23-10-12)8-16-6-7-18(26(27)28)17(25-16)9-15-5-3-13(11-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3
InChIKeyMASSMTSOGXESOW-UHFFFAOYSA-N
XLogP4.29
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine 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

6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10711281
1-[(2-Nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 2902952
6-Allyl-8-(3-nitro-phenyl)-[1,7]naphthyridine
CID 10661230
8-(3-Nitro-phenyl)-6-pyridin-3-yl-[1,7]naphthyridine
CID 10664015
3-Nitro-4-(4-methyl-1-piperazinyl)quinoline
CID 23723897
8-(3-Nitro-phenyl)-[1,7]naphthyridine
CID 10682163
4-Methyl-3-nitroquinoline
CID 12379985
N'-methoxy-6-[6-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridyl]pyrazin-2-yl]pyridine-3-carboxamidine
CID 73346582
N'-hydroxy-6-[6-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide
CID 136254469
2-(3-Nitrophenyl)-4-phenyl-1,5-naphthyridine
CID 145972187
3-Nitro-2-phenylpyridine
CID 2762787
N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 76333072

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine?
The IUPAC name of 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine (CID 58645256) is 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine.
What is the SMILES notation for 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine?
The canonical SMILES for 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine is Cc1ccc(Cc2ccc([N+](=O)[O-])c(Cc3ccc(C(F)(F)F)cn3)n2)nc1.
What is the InChIKey of 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine?
The InChIKey is MASSMTSOGXESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-12-2-4-14(23-10-12)8-16-6-7-18(26(27)28)17(25-16)9-15-5-3-13(11-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine?
6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine has a molecular weight of 388.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-2-pyridinyl)methyl]-3-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 58645256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).