(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone

C10H5BrClN3O — CID 70514919

IUPAC(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)c1ncncc1Br
InChIInChI=1S/C10H5BrClN3O/c11-7-4-13-5-15-9(7)10(16)8-2-1-6(12)3-14-8/h1-5H
InChIKeyUNMJCJRQDATEFN-UHFFFAOYSA-N
MW298.53 g/mol
LogP2.52
Rot. Bonds2

About (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone

(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone (PubChem CID 70514919) has the molecular formula C10H5BrClN3O and a molecular weight of 298.53 g/mol. Its IUPAC name is (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone
PubChem CID70514919
Molecular FormulaC10H5BrClN3O
Molecular Weight298.53 g/mol
Exact Mass296.93
IUPAC Name(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)c1ncncc1Br
InChIInChI=1S/C10H5BrClN3O/c11-7-4-13-5-15-9(7)10(16)8-2-1-6(12)3-14-8/h1-5H
InChIKeyUNMJCJRQDATEFN-UHFFFAOYSA-N
XLogP2.52
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromopyrimidine-4-carboxylic acid
CID 21329200
(5-chloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515020
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
CID 86346491
5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide
CID 71914219
1-(5-chloro-2-pyridinyl)-2-(2,6-dibromophenyl)ethenol
CID 166020737
methyl 5-chloropyridine-2-carboxylate
CID 11298216
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-2-pyridinyl)methanone
CID 114641638
(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
CID 169324742
(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone
CID 175981578
1-(5-chloro-2-pyridinyl)butane-1,2-dione
CID 177314463

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone (CID 70514919) is (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone is O=C(c1ccc(Cl)cn1)c1ncncc1Br.
What is the InChIKey of (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone?
The InChIKey is UNMJCJRQDATEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O/c11-7-4-13-5-15-9(7)10(16)8-2-1-6(12)3-14-8/h1-5H.
What are the key properties of (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone?
(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone has a molecular weight of 298.53 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 70514919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).