2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine

C9H10F2N4O2 — CID 123677664

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C9H10F2N4O2/c10-9(11)1-3-14(4-2-9)8-12-5-7(6-13-8)15(16)17/h5-6H,1-4H2
InChIKeyYMZXPNALUHVOGH-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.62
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine

2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine (PubChem CID 123677664) has the molecular formula C9H10F2N4O2 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine
PubChem CID123677664
Molecular FormulaC9H10F2N4O2
Molecular Weight244.20 g/mol
Exact Mass244.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C9H10F2N4O2/c10-9(11)1-3-14(4-2-9)8-12-5-7(6-13-8)15(16)17/h5-6H,1-4H2
InChIKeyYMZXPNALUHVOGH-UHFFFAOYSA-N
XLogP1.62
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.62
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

5-Nitropyrimidin-2-amine
CID 76490
5-Nitropyrimidine
CID 11040699
4-(Azepan-1-yl)-5-nitropyrimidin-2-amine
CID 3467954
2-Fluoro-5-nitropyrimidine
CID 551076
2-Chloro-N-(3,3-difluorocyclopentyl)-5-nitropyrimidin-4-amine
CID 171476648
N,N-dimethyl-5-nitropyrimidin-2-amine
CID 597701
2,4-Difluoro-5-nitropyrimidine
CID 17804384
3-(5-Nitropyrimidin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134788582
2-chloro-N-(4,4-difluorocyclohexyl)-5-nitropyrimidin-4-amine
CID 178318601
5-Nitro-2-(piperidin-1-yl)pyrimidine
CID 5026092
5-Nitro-6-(piperidin-1-yl)pyrimidin-4-amine
CID 3795743
2-(3-Methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 47158393

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine (CID 123677664) is 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine is O=[N+]([O-])c1cnc(N2CCC(F)(F)CC2)nc1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine?
The InChIKey is YMZXPNALUHVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O2/c10-9(11)1-3-14(4-2-9)8-12-5-7(6-13-8)15(16)17/h5-6H,1-4H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine?
2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine has a molecular weight of 244.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidine is sourced from PubChem (CID 123677664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).