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

C9H10F3N3O2 — CID 55174948

IUPAC3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCC(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-6-4-7(15(16)17)5-14-8(6)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQZVKNZFXPVTRKN-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.66
Rot. Bonds4

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

3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 55174948) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID55174948
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCC(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-6-4-7(15(16)17)5-14-8(6)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQZVKNZFXPVTRKN-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

3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
5-nitro-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 63227033
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
2-methyl-5-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 63227359
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 55174948) is 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCCC(F)(F)F.
What is the InChIKey of 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is QZVKNZFXPVTRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-6-4-7(15(16)17)5-14-8(6)13-3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
3-methyl-5-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 3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 55174948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).