(2,5-dibromophenyl)-pyridin-3-ylmethanone

C12H7Br2NO — CID 112694374

IUPAC(2,5-dibromophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br2NO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyPAZDPPWXBMKLRA-UHFFFAOYSA-N
MW341.00 g/mol
LogP3.84
Rot. Bonds2

About (2,5-dibromophenyl)-pyridin-3-ylmethanone

(2,5-dibromophenyl)-pyridin-3-ylmethanone (PubChem CID 112694374) has the molecular formula C12H7Br2NO and a molecular weight of 341.00 g/mol. Its IUPAC name is (2,5-dibromophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-pyridin-3-ylmethanone
PubChem CID112694374
Molecular FormulaC12H7Br2NO
Molecular Weight341.00 g/mol
Exact Mass338.89
IUPAC Name(2,5-dibromophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br2NO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyPAZDPPWXBMKLRA-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.00
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
[1-[4-bromo-2-(pyridine-3-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 139414120
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (2,5-dibromophenyl)-pyridin-3-ylmethanone (CID 112694374) is (2,5-dibromophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2,5-dibromophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2,5-dibromophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-pyridin-3-ylmethanone?
The InChIKey is PAZDPPWXBMKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H.
What are the key properties of (2,5-dibromophenyl)-pyridin-3-ylmethanone?
(2,5-dibromophenyl)-pyridin-3-ylmethanone has a molecular weight of 341.00 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 112694374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).