N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide

C9H9F4N3O — CID 139248728

IUPACN-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide
SMILESCC(C)(C)N(N=O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N3O/c1-9(2,3)16(15-17)6-4(10)7(12)14-8(13)5(6)11/h1-3H3
InChIKeyABJPWJVCVBTTIO-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.92
Rot. Bonds2

About N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide

N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide (PubChem CID 139248728) has the molecular formula C9H9F4N3O and a molecular weight of 251.18 g/mol. Its IUPAC name is N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide.

Molecular Properties

Compound NameN-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide
PubChem CID139248728
Molecular FormulaC9H9F4N3O
Molecular Weight251.18 g/mol
Exact Mass251.07
IUPAC NameN-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide
SMILESCC(C)(C)N(N=O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N3O/c1-9(2,3)16(15-17)6-4(10)7(12)14-8(13)5(6)11/h1-3H3
InChIKeyABJPWJVCVBTTIO-UHFFFAOYSA-N
XLogP2.92
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethylamino)-2,3,5,6-tetrafluoropyridine
CID 853684
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
4-(t-Butylamino)-2,3,5,6-tetrafluoropyridine
CID 22121159
2,3,5,6-Tetrafluoro-4-nitrosopyridine
CID 13862066
N-tert-butyl-2,3,5,6-tetrafluoro-1-methylpyridin-1-ium-4-amine
CID 58320110
N-(cyclopentylideneamino)-2,3,5,6-tetrafluoropyridin-4-amine
CID 9514503
2,3,5,6-Tetrafluoro-N,N-diisopropyl-4-pyridinamine
CID 14322657
N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
CID 79904604
N-(cyclopropylmethyl)-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
CID 79905242
N-ethyl-2,3,5,6-tetrafluoro-N-(2-methylbutyl)pyridin-4-amine
CID 80056577
N-ethyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
CID 80056611
N-cyclopropyl-2,3,5,6-tetrafluoro-N-(2-methylpropyl)pyridin-4-amine
CID 80056625

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide?
The IUPAC name of N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide (CID 139248728) is N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide.
What is the SMILES notation for N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide?
The canonical SMILES for N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide is CC(C)(C)N(N=O)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide?
The InChIKey is ABJPWJVCVBTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N3O/c1-9(2,3)16(15-17)6-4(10)7(12)14-8(13)5(6)11/h1-3H3.
What are the key properties of N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide?
N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide has a molecular weight of 251.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)nitrous amide is sourced from PubChem (CID 139248728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).