(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone

C12H5BrCl2FNO — CID 106761864

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H5BrCl2FNO/c13-8-3-2-7(11(16)10(8)15)12(18)6-1-4-9(14)17-5-6/h1-5H
InChIKeyDLDYSNNTQFVCBM-UHFFFAOYSA-N
MW348.99 g/mol
LogP4.52
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone (PubChem CID 106761864) has the molecular formula C12H5BrCl2FNO and a molecular weight of 348.99 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
PubChem CID106761864
Molecular FormulaC12H5BrCl2FNO
Molecular Weight348.99 g/mol
Exact Mass346.89
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H5BrCl2FNO/c13-8-3-2-7(11(16)10(8)15)12(18)6-1-4-9(14)17-5-6/h1-5H
InChIKeyDLDYSNNTQFVCBM-UHFFFAOYSA-N
XLogP4.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.99
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106763911
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 106761787
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
CID 106761878
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 106761879
(4-bromo-3-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106764329
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone (CID 106761864) is (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone is O=C(c1ccc(Cl)nc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The InChIKey is DLDYSNNTQFVCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl2FNO/c13-8-3-2-7(11(16)10(8)15)12(18)6-1-4-9(14)17-5-6/h1-5H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone has a molecular weight of 348.99 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 106761864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).