3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one

C14H10BrN3O — CID 57319676

IUPAC3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one
SMILESCc1c(-c2nncc3ccccc23)c[nH]c(=O)c1Br
InChIInChI=1S/C14H10BrN3O/c1-8-11(7-16-14(19)12(8)15)13-10-5-3-2-4-9(10)6-17-18-13/h2-7H,1H3,(H,16,19)
InChIKeyFAOBMOXZVCDXPV-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.06
Rot. Bonds1

About 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one

3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one (PubChem CID 57319676) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one
PubChem CID57319676
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one
SMILESCc1c(-c2nncc3ccccc23)c[nH]c(=O)c1Br
InChIInChI=1S/C14H10BrN3O/c1-8-11(7-16-14(19)12(8)15)13-10-5-3-2-4-9(10)6-17-18-13/h2-7H,1H3,(H,16,19)
InChIKeyFAOBMOXZVCDXPV-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57233263
3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57217859
5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-1H-pyridin-2-one
CID 68856591
1-phenylphthalazine
CID 609624
ethane;4-methyl-2H-isoquinolin-3-one
CID 144872721
1-(2,4-difluorophenyl)phthalazine
CID 175330738
1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
CID 139599899
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
CID 11747751
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
1-quinazolin-2-ylphthalazine
CID 57181955
phthalazine-1-sulfonic acid
CID 151983836
4-methyl-2H-isoquinolin-1-one
CID 12695299

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one (CID 57319676) is 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one is Cc1c(-c2nncc3ccccc23)c[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one?
The InChIKey is FAOBMOXZVCDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-8-11(7-16-14(19)12(8)15)13-10-5-3-2-4-9(10)6-17-18-13/h2-7H,1H3,(H,16,19).
What are the key properties of 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one?
3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one has a molecular weight of 316.16 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-phthalazin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 57319676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).