5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine

C10H7BrClN3O — CID 134854260

IUPAC5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)ncc2Br)cn1
InChIInChI=1S/C10H7BrClN3O/c1-16-8-3-2-6(4-13-8)9-7(11)5-14-10(12)15-9/h2-5H,1H3
InChIKeyKPPGMDBCCVRNQA-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine

5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine (PubChem CID 134854260) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
PubChem CID134854260
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
SMILESCOc1ccc(-c2nc(Cl)ncc2Br)cn1
InChIInChI=1S/C10H7BrClN3O/c1-16-8-3-2-6(4-13-8)9-7(11)5-14-10(12)15-9/h2-5H,1H3
InChIKeyKPPGMDBCCVRNQA-UHFFFAOYSA-N
XLogP2.96
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline
CID 134202247
2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 142788951
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 141410973
2-chloro-6-(6-methoxy-3-pyridinyl)-5-(4-methyl-6-methylsulfanyl-1,3,5-triazin-2-yl)pyrimidin-4-amine
CID 142788927
5-bromo-2-methoxypyridine
CID 2734895
3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
CID 106516084
5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 57428877
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 90390971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine (CID 134854260) is 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine is COc1ccc(-c2nc(Cl)ncc2Br)cn1.
What is the InChIKey of 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine?
The InChIKey is KPPGMDBCCVRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c1-16-8-3-2-6(4-13-8)9-7(11)5-14-10(12)15-9/h2-5H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine?
5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine has a molecular weight of 300.54 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine is sourced from PubChem (CID 134854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).