4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

C12H6F5N3O2 — CID 133086486

IUPAC4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESCc1c(-c2c(F)c(F)c(F)c(F)c2F)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H6F5N3O2/c1-3-4(2-19-12(18)11(3)20(21)22)5-6(13)8(15)10(17)9(16)7(5)14/h2H,1H3,(H2,18,19)
InChIKeyJEWYQECJAWXFFL-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.24
Rot. Bonds2

About 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (PubChem CID 133086486) has the molecular formula C12H6F5N3O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
PubChem CID133086486
Molecular FormulaC12H6F5N3O2
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Name4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESCc1c(-c2c(F)c(F)c(F)c(F)c2F)cnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H6F5N3O2/c1-3-4(2-19-12(18)11(3)20(21)22)5-6(13)8(15)10(17)9(16)7(5)14/h2H,1H3,(H2,18,19)
InChIKeyJEWYQECJAWXFFL-UHFFFAOYSA-N
XLogP3.24
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172
4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
5-chloro-4-fluoro-3-nitropyridin-2-amine
CID 135394983
8-chloro-6-(4,6-dimethyl-5-nitro-3-pyridinyl)-7-fluoroisoquinolin-3-amine
CID 135343670
5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
CID 161111660
4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542
5-(4-bromobut-1-ynyl)-4-methyl-3-nitropyridin-2-amine
CID 170466786
5-(4-chlorobut-1-ynyl)-4-methyl-3-nitropyridin-2-amine
CID 170468411
1,2,3,4,5-pentafluoro-6-[4-nitro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 139110937
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
1,3,5-trifluoro-2-methyl-4,6-dinitrobenzene
CID 53429897
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (CID 133086486) is 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is Cc1c(-c2c(F)c(F)c(F)c(F)c2F)cnc(N)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The InChIKey is JEWYQECJAWXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5N3O2/c1-3-4(2-19-12(18)11(3)20(21)22)5-6(13)8(15)10(17)9(16)7(5)14/h2H,1H3,(H2,18,19).
What are the key properties of 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine has a molecular weight of 319.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is sourced from PubChem (CID 133086486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).