N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine

C30H21ClF3N11O2 — CID 160819383

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine
SMILESCc1ccnc(Nc2cncc(-c3ccccn3)n2)c1[N+](=O)[O-].FC(F)(F)c1cnc(Nc2cncc(-c3ccccn3)n2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N5.C15H12N6O2/c16-10-5-9(15(17,18)19)6-22-14(10)24-13-8-20-7-12(23-13)11-3-1-2-4-21-11;1-10-5-7-18-15(14(10)21(22)23)20-13-9-16-8-12(19-13)11-4-2-3-6-17-11/h1-8H,(H,22,23,24);2-9H,1H3,(H,18,19,20)
InChIKeySFIIPBBSFRSXMV-UHFFFAOYSA-N
MW660.02 g/mol
LogP7.24
Rot. Bonds7

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine (PubChem CID 160819383) has the molecular formula C30H21ClF3N11O2 and a molecular weight of 660.02 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine
PubChem CID160819383
Molecular FormulaC30H21ClF3N11O2
Molecular Weight660.02 g/mol
Exact Mass659.15
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine
SMILESCc1ccnc(Nc2cncc(-c3ccccn3)n2)c1[N+](=O)[O-].FC(F)(F)c1cnc(Nc2cncc(-c3ccccn3)n2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N5.C15H12N6O2/c16-10-5-9(15(17,18)19)6-22-14(10)24-13-8-20-7-12(23-13)11-3-1-2-4-21-11;1-10-5-7-18-15(14(10)21(22)23)20-13-9-16-8-12(19-13)11-4-2-3-6-17-11/h1-8H,(H,22,23,24);2-9H,1H3,(H,18,19,20)
InChIKeySFIIPBBSFRSXMV-UHFFFAOYSA-N
XLogP7.24
TPSA170.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500660.02
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine with MolForge

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Related Compounds

N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine
CID 3773884
6-N-[2-[[4-(2,4-dichlorophenyl)-5-pyridin-2-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 137647257
6-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-nitropyridin-2-amine
CID 145993995
3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 137348794
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 4325615
4-(3-Chloro-4-fluorophenyl)-6-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-2-(4-propylpiperazin-1-yl)pyrimidine
CID 11678441
2-N-(4-chlorophenyl)-4-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 21080869
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
CID 24898749
2-Chloro-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-[1,5]naphthyridin-4-amine
CID 46203539
(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-(3-chloro-5-nitro-2-pyridinyl)-2-ethylpiperazine
CID 57762142
(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-(3-chloro-5-nitro-2-pyridinyl)-2-methylpiperazine
CID 57762156
(2S,5R)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-(3-chloro-5-nitro-2-pyridinyl)-2,5-dimethylpiperazine
CID 57762270

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine (CID 160819383) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine is Cc1ccnc(Nc2cncc(-c3ccccn3)n2)c1[N+](=O)[O-].FC(F)(F)c1cnc(Nc2cncc(-c3ccccn3)n2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine?
The InChIKey is SFIIPBBSFRSXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N5.C15H12N6O2/c16-10-5-9(15(17,18)19)6-22-14(10)24-13-8-20-7-12(23-13)11-3-1-2-4-21-11;1-10-5-7-18-15(14(10)21(22)23)20-13-9-16-8-12(19-13)11-4-2-3-6-17-11/h1-8H,(H,22,23,24);2-9H,1H3,(H,18,19,20).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine has a molecular weight of 660.02 g/mol, XLogP of 7.24, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitro-2-pyridinyl)-6-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 160819383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).