(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone

C12H6ClFN2O3 — CID 21448731

IUPAC(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClFN2O3/c13-10-6-5-9(16(18)19)11(15-10)12(17)7-3-1-2-4-8(7)14/h1-6H
InChIKeyZWONPBFTEHQSSW-UHFFFAOYSA-N
MW280.64 g/mol
LogP3.01
Rot. Bonds3

About (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone

(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone (PubChem CID 21448731) has the molecular formula C12H6ClFN2O3 and a molecular weight of 280.64 g/mol. Its IUPAC name is (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
PubChem CID21448731
Molecular FormulaC12H6ClFN2O3
Molecular Weight280.64 g/mol
Exact Mass280.01
IUPAC Name(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClFN2O3/c13-10-6-5-9(16(18)19)11(15-10)12(17)7-3-1-2-4-8(7)14/h1-6H
InChIKeyZWONPBFTEHQSSW-UHFFFAOYSA-N
XLogP3.01
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.64
LogP ≤ 53.01
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4-(2-nitrophenyl)quinoline-5,8-dione
CID 363531
2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide
CID 334854
2-(4-Chlorophenyl)-1-oxido-pyrrolo[3,2-b]pyridin-1-ium-3-one
CID 44817927
3-(4-Fluorophenyl)-1-(2-methyl-5-nitro-6-phenylpyridin-3-yl)prop-2-en-1-one
CID 155804064
(6-Chloro-2-pyridinyl)phenylmethanone
CID 14023163
(3-Amino-6-chloro-2-pyridyl) (2-chlorophenyl) ketone
CID 3016382
(6-Chloro-3-nitro-2-pyridyl) (2-chlorophenyl) ketone
CID 3016653
(6-Chloro-2-pyridinyl)-(4-fluorophenyl)methanone
CID 20145706
(6-Chloro-2-pyridinyl)-(2,4-difluorophenyl)methanone
CID 20145739
[6-Chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone
CID 20520019
(3-Amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 20520026
(3-Amino-6-chloropyridin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 21448705

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone?
The IUPAC name of (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone (CID 21448731) is (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone?
The InChIKey is ZWONPBFTEHQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O3/c13-10-6-5-9(16(18)19)11(15-10)12(17)7-3-1-2-4-8(7)14/h1-6H.
What are the key properties of (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone?
(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone has a molecular weight of 280.64 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 21448731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).