5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C9H10F3N3O2 — CID 83267804

IUPAC5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCc1cnc(NCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10F3N3O2/c1-6-5-14-8(4-7(6)15(16)17)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyXEDZUQUSFHDYEF-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.66
Rot. Bonds4

About 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine

5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 83267804) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID83267804
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCc1cnc(NCCC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10F3N3O2/c1-6-5-14-8(4-7(6)15(16)17)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyXEDZUQUSFHDYEF-UHFFFAOYSA-N
XLogP2.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
CID 83267138

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 83267804) is 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is Cc1cnc(NCCC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is XEDZUQUSFHDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-6-5-14-8(4-7(6)15(16)17)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 249.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 83267804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).