5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C10H11F3N4O2 — CID 166062547

IUPAC5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESO=[N+]([O-])c1cnc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(6-15-9)17(18)19/h5-7H,1-4H2
InChIKeyQDLPFXAIMNSPES-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.16
Rot. Bonds2

About 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 166062547) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID166062547
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESO=[N+]([O-])c1cnc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(6-15-9)17(18)19/h5-7H,1-4H2
InChIKeyQDLPFXAIMNSPES-UHFFFAOYSA-N
XLogP2.16
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,N-dimethyl-5-nitropyrimidin-2-amine
CID 597701
3-(5-Nitropyrimidin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134788582
5-Nitro-2-(piperidin-1-yl)pyrimidine
CID 5026092
2-(3-Methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 47158393
5-Nitro-2-diethylaminopyrimidine
CID 13950107
2-[4-(Trifluoromethyl)piperidin-1-yl]pyrimidin-5-amine
CID 65534030
N,N-diethyl-5-nitro-2-(trifluoromethyl)pyrimidin-4-amine
CID 68122834
2-chloro-N-cyclobutyl-N-(2,2-difluoropropyl)-5-nitropyrimidin-4-amine
CID 87368372
2-chloro-N-cyclopentyl-N-(2,2-difluoroethyl)-5-nitropyrimidin-4-amine
CID 88911350
2-(4,4-Difluoropiperidin-1-yl)-5-nitropyrimidine
CID 123677664
4-(4,4-Difluoropiperidin-1-yl)-5-nitropyrimidine
CID 140191586
5-Nitro-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 140191589

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 166062547) is 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is O=[N+]([O-])c1cnc(N2CCC(C(F)(F)F)CC2)nc1.
What is the InChIKey of 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is QDLPFXAIMNSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(6-15-9)17(18)19/h5-7H,1-4H2.
What are the key properties of 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 276.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 166062547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).