2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone

C18H12FN3O3 — CID 18354656

IUPAC2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone
SMILESO=C(c1ccccn1)C(c1ccc(F)cc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C18H12FN3O3/c19-13-8-6-12(7-9-13)16(18(23)14-4-1-2-10-20-14)17-15(22(24)25)5-3-11-21-17/h1-11,16H
InChIKeyYGTWKTFSWPXWOG-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone

2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone (PubChem CID 18354656) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone
PubChem CID18354656
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone
SMILESO=C(c1ccccn1)C(c1ccc(F)cc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C18H12FN3O3/c19-13-8-6-12(7-9-13)16(18(23)14-4-1-2-10-20-14)17-15(22(24)25)5-3-11-21-17/h1-11,16H
InChIKeyYGTWKTFSWPXWOG-UHFFFAOYSA-N
XLogP3.54
TPSA85.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 99927331
[2-nitro-6-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118836250
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
CID 12711118
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
1-(4-fluorophenyl)-1-[(3-nitro-2-pyridinyl)amino]urea
CID 22305425
[(1S)-1-(4-fluorophenyl)ethyl] 2-nitrobenzoate
CID 29434834
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone (CID 18354656) is 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone is O=C(c1ccccn1)C(c1ccc(F)cc1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone?
The InChIKey is YGTWKTFSWPXWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-13-8-6-12(7-9-13)16(18(23)14-4-1-2-10-20-14)17-15(22(24)25)5-3-11-21-17/h1-11,16H.
What are the key properties of 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone?
2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone has a molecular weight of 337.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-nitro-2-pyridinyl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 18354656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).