5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

C10H10F3N3O2 — CID 106215072

IUPAC5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCc1cnc(NC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10F3N3O2/c1-6-4-7(16(17)18)8(14-5-6)15-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyMVKXEFWNOOQXKY-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.81
Rot. Bonds3

About 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (PubChem CID 106215072) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
PubChem CID106215072
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCc1cnc(NC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10F3N3O2/c1-6-4-7(16(17)18)8(14-5-6)15-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyMVKXEFWNOOQXKY-UHFFFAOYSA-N
XLogP2.81
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.81
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

[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731868
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219538
3-methyl-5-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline
CID 106214906
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
CID 103742736
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
2,5-dimethyl-3-nitropyridine
CID 12626468
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705
4-N-(5-methyl-3-nitro-2-pyridinyl)benzene-1,4-diamine
CID 66279805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (CID 106215072) is 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is Cc1cnc(NC2(C(F)(F)F)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The InChIKey is MVKXEFWNOOQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-6-4-7(16(17)18)8(14-5-6)15-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine has a molecular weight of 261.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is sourced from PubChem (CID 106215072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).