N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

C9H10FN5O2 — CID 14207172

IUPACN-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCN1Cc1ccc(F)nc1
InChIInChI=1S/C9H10FN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
InChIKeyPPGYQILTAWAWSV-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.17
Rot. Bonds3

About N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 14207172) has the molecular formula C9H10FN5O2 and a molecular weight of 239.21 g/mol. Its IUPAC name is N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID14207172
Molecular FormulaC9H10FN5O2
Molecular Weight239.21 g/mol
Exact Mass239.08
IUPAC NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCN1Cc1ccc(F)nc1
InChIInChI=1S/C9H10FN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
InChIKeyPPGYQILTAWAWSV-UHFFFAOYSA-N
XLogP0.17
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide (CID 14207172) is N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide is O=[N+]([O-])NC1=NCCN1Cc1ccc(F)nc1.
What is the InChIKey of N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide?
The InChIKey is PPGYQILTAWAWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13).
What are the key properties of N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 239.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 14207172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).