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

C10H11FN4O2 — CID 57220138

IUPACN-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide
SMILESO=[N+]([O-])NC1=CCCN1Cc1ccc(F)nc1
InChIInChI=1S/C10H11FN4O2/c11-9-4-3-8(6-12-9)7-14-5-1-2-10(14)13-15(16)17/h2-4,6,13H,1,5,7H2
InChIKeyBLDHKSDBYXNUES-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.05
Rot. Bonds4

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

N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide (PubChem CID 57220138) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide.

Molecular Properties

Compound NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide
PubChem CID57220138
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide
SMILESO=[N+]([O-])NC1=CCCN1Cc1ccc(F)nc1
InChIInChI=1S/C10H11FN4O2/c11-9-4-3-8(6-12-9)7-14-5-1-2-10(14)13-15(16)17/h2-4,6,13H,1,5,7H2
InChIKeyBLDHKSDBYXNUES-UHFFFAOYSA-N
XLogP1.05
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-2,3-dihydropyrrol-5-yl]nitramide?
The IUPAC name of N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide (CID 57220138) is N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide.
What is the SMILES notation for N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide?
The canonical SMILES for N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide is O=[N+]([O-])NC1=CCCN1Cc1ccc(F)nc1.
What is the InChIKey of N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide?
The InChIKey is BLDHKSDBYXNUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c11-9-4-3-8(6-12-9)7-14-5-1-2-10(14)13-15(16)17/h2-4,6,13H,1,5,7H2.
What are the key properties of N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide?
N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide has a molecular weight of 238.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoro-3-pyridinyl)methyl]-2,3-dihydropyrrol-5-yl]nitramide is sourced from PubChem (CID 57220138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).