1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine

C15H15F2N3O2 — CID 175174631

IUPAC1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine
SMILESCC1(N2CC([N+](=O)[O-])=CC=C2c2cccnc2)CC(F)(F)C1
InChIInChI=1S/C15H15F2N3O2/c1-14(9-15(16,17)10-14)19-8-12(20(21)22)4-5-13(19)11-3-2-6-18-7-11/h2-7H,8-10H2,1H3
InChIKeyZUZARDRVOIYREZ-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.09
Rot. Bonds3

About 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine

1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine (PubChem CID 175174631) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine
PubChem CID175174631
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine
SMILESCC1(N2CC([N+](=O)[O-])=CC=C2c2cccnc2)CC(F)(F)C1
InChIInChI=1S/C15H15F2N3O2/c1-14(9-15(16,17)10-14)19-8-12(20(21)22)4-5-13(19)11-3-2-6-18-7-11/h2-7H,8-10H2,1H3
InChIKeyZUZARDRVOIYREZ-UHFFFAOYSA-N
XLogP3.09
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine (CID 175174631) is 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine is CC1(N2CC([N+](=O)[O-])=CC=C2c2cccnc2)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine?
The InChIKey is ZUZARDRVOIYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-14(9-15(16,17)10-14)19-8-12(20(21)22)4-5-13(19)11-3-2-6-18-7-11/h2-7H,8-10H2,1H3.
What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine?
1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine has a molecular weight of 307.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine is sourced from PubChem (CID 175174631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).