(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide

C10H11FN4O2 — CID 22405374

IUPAC(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/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/h3-4,6H,1-2,5,7H2/b13-10-
InChIKeyYHFHHEQZGOLVEX-RAXLEYEMSA-N
MW238.22 g/mol
LogP1.41
Rot. Bonds3

About (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide

(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide (PubChem CID 22405374) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide
PubChem CID22405374
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1/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/h3-4,6H,1-2,5,7H2/b13-10-
InChIKeyYHFHHEQZGOLVEX-RAXLEYEMSA-N
XLogP1.41
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide (CID 22405374) is (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide is O=[N+]([O-])/N=C1/CCCN1Cc1ccc(F)nc1.
What is the InChIKey of (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide?
The InChIKey is YHFHHEQZGOLVEX-RAXLEYEMSA-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/h3-4,6H,1-2,5,7H2/b13-10-.
What are the key properties of (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide?
(NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide has a molecular weight of 238.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]nitramide is sourced from PubChem (CID 22405374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).