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

C19H12Cl2F2N2O3 — CID 174633098

IUPAC(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide
SMILESNC(=O)c1ccccc1O.O=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F2NO.C7H7NO2/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15;8-7(10)5-3-1-2-4-6(5)9/h1-5H;1-4,9H,(H2,8,10)
InChIKeyXCCNPVBNJINSFA-UHFFFAOYSA-N
MW425.22 g/mol
LogP4.39
Rot. Bonds3

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

(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide (PubChem CID 174633098) has the molecular formula C19H12Cl2F2N2O3 and a molecular weight of 425.22 g/mol. Its IUPAC name is (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide.

Molecular Properties

Compound Name(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide
PubChem CID174633098
Molecular FormulaC19H12Cl2F2N2O3
Molecular Weight425.22 g/mol
Exact Mass424.02
IUPAC Name(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide
SMILESNC(=O)c1ccccc1O.O=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C12H5Cl2F2NO.C7H7NO2/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15;8-7(10)5-3-1-2-4-6(5)9/h1-5H;1-4,9H,(H2,8,10)
InChIKeyXCCNPVBNJINSFA-UHFFFAOYSA-N
XLogP4.39
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
CID 141317556
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
2-fluorobenzamide;dihydrochloride
CID 22563899
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
benzene;2-hydroxybenzamide
CID 157085280
(2,3-dichloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 13015711
(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 125473497
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
1,1-dichloroethene;2-hydroxybenzamide
CID 174296384
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
cobalt;ethane;bis(2-hydroxybenzamide)
CID 158340960
2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 119016340

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide?
The IUPAC name of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide (CID 174633098) is (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide.
What is the SMILES notation for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide?
The canonical SMILES for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide is NC(=O)c1ccccc1O.O=C(c1ccccc1F)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide?
The InChIKey is XCCNPVBNJINSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F2NO.C7H7NO2/c13-11-7(5-9(16)12(14)17-11)10(18)6-3-1-2-4-8(6)15;8-7(10)5-3-1-2-4-6(5)9/h1-5H;1-4,9H,(H2,8,10).
What are the key properties of (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide?
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide has a molecular weight of 425.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide is sourced from PubChem (CID 174633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).