1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine

C15H11BrClN3O — CID 86761428

IUPAC1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine
SMILESCOc1ncc(Cc2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H11BrClN3O/c1-21-15-12(16)6-9(8-18-15)7-13-10-4-2-3-5-11(10)14(17)20-19-13/h2-6,8H,7H2,1H3
InChIKeyNIPHOINDITWOFJ-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.04
Rot. Bonds3

About 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine

1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine (PubChem CID 86761428) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine.

Molecular Properties

Compound Name1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine
PubChem CID86761428
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine
SMILESCOc1ncc(Cc2nnc(Cl)c3ccccc23)cc1Br
InChIInChI=1S/C15H11BrClN3O/c1-21-15-12(16)6-9(8-18-15)7-13-10-4-2-3-5-11(10)14(17)20-19-13/h2-6,8H,7H2,1H3
InChIKeyNIPHOINDITWOFJ-UHFFFAOYSA-N
XLogP4.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]phthalazine
CID 90958624
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698
methyl 2-(4-chlorophthalazin-1-yl)acetate
CID 117272900
1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine
CID 81473769
1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 174699527
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
3-bromo-5-ethyl-2-methoxypyridine;(5-bromo-6-methoxy-3-pyridinyl)methanol;[deuterio(tritio)boranyl] thiohypochlorite
CID 161489355
4-bromo-3-chloro-6-(2-methoxyphenyl)pyridazine
CID 117107085
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807
1-[3,5-dibromo-4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 107741834

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine?
The IUPAC name of 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine (CID 86761428) is 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine.
What is the SMILES notation for 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine?
The canonical SMILES for 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine is COc1ncc(Cc2nnc(Cl)c3ccccc23)cc1Br.
What is the InChIKey of 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine?
The InChIKey is NIPHOINDITWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-21-15-12(16)6-9(8-18-15)7-13-10-4-2-3-5-11(10)14(17)20-19-13/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine?
1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine has a molecular weight of 364.63 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-6-methoxy-3-pyridinyl)methyl]-4-chlorophthalazine is sourced from PubChem (CID 86761428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).