(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone

C13H8BrN3O — CID 147993971

IUPAC(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESO=C(c1cc(Br)ccn1)c1cnc2ccccn12
InChIInChI=1S/C13H8BrN3O/c14-9-4-5-15-10(7-9)13(18)11-8-16-12-3-1-2-6-17(11)12/h1-8H
InChIKeyIVQGCXGKEUDTPY-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.72
Rot. Bonds2

About (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone

(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone (PubChem CID 147993971) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
PubChem CID147993971
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESO=C(c1cc(Br)ccn1)c1cnc2ccccn12
InChIInChI=1S/C13H8BrN3O/c14-9-4-5-15-10(7-9)13(18)11-8-16-12-3-1-2-6-17(11)12/h1-8H
InChIKeyIVQGCXGKEUDTPY-UHFFFAOYSA-N
XLogP2.72
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 148877305
(5-bromo-2-hydroxyphenyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 175903607
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione
CID 134956704
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
CID 46846990
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone
CID 11266716
N-cyclohexyl-N-ethyl-6-(imidazo[1,2-a]pyridine-3-carbonyl)pyridine-3-carboxamide
CID 46846869
3-(4-bromophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one
CID 135045797
N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129329563

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The IUPAC name of (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone (CID 147993971) is (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone.
What is the SMILES notation for (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The canonical SMILES for (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone is O=C(c1cc(Br)ccn1)c1cnc2ccccn12.
What is the InChIKey of (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone?
The InChIKey is IVQGCXGKEUDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-9-4-5-15-10(7-9)13(18)11-8-16-12-3-1-2-6-17(11)12/h1-8H.
What are the key properties of (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone?
(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone has a molecular weight of 302.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone is sourced from PubChem (CID 147993971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).