(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone

C11H7BrN2O — CID 86696896

IUPAC(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN2O/c12-9-3-4-10(14-7-9)11(15)8-2-1-5-13-6-8/h1-7H
InChIKeyBZTIKOINSRCIOC-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.47
Rot. Bonds2

About (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone

(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone (PubChem CID 86696896) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
PubChem CID86696896
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN2O/c12-9-3-4-10(14-7-9)11(15)8-2-1-5-13-6-8/h1-7H
InChIKeyBZTIKOINSRCIOC-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone
CID 167295768
(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
CID 130988850
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
CID 130602508
methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
CID 175951139
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
5-bromo-2-(1-phenylethenyl)pyridine
CID 101057662

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone?
The IUPAC name of (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone (CID 86696896) is (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone?
The InChIKey is BZTIKOINSRCIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-9-3-4-10(14-7-9)11(15)8-2-1-5-13-6-8/h1-7H.
What are the key properties of (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone?
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone has a molecular weight of 263.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 86696896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).