(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone

C12H5Cl2F2NO — CID 141317556

IUPAC(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F2NO/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15/h1-5H
InChIKeyYQTHXJASHNQSBZ-UHFFFAOYSA-N
MW288.08 g/mol
LogP3.90
Rot. Bonds2

About (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone

(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone (PubChem CID 141317556) has the molecular formula C12H5Cl2F2NO and a molecular weight of 288.08 g/mol. Its IUPAC name is (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
PubChem CID141317556
Molecular FormulaC12H5Cl2F2NO
Molecular Weight288.08 g/mol
Exact Mass286.97
IUPAC Name(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F2NO/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15/h1-5H
InChIKeyYQTHXJASHNQSBZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide
CID 174633098
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2,3-dichloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 13015711
(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 20520026
(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 21448731
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone (CID 141317556) is (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone?
The InChIKey is YQTHXJASHNQSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F2NO/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15/h1-5H.
What are the key properties of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone?
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone has a molecular weight of 288.08 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 141317556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).