5,7-difluoro-1-methylphthalazine

C9H6F2N2 — CID 177201301

IUPAC5,7-difluoro-1-methylphthalazine
SMILESCc1nncc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2/c1-5-7-2-6(10)3-9(11)8(7)4-12-13-5/h2-4H,1H3
InChIKeyDSWDCCYCQTZBDL-UHFFFAOYSA-N
MW180.16 g/mol
LogP2.22
Rot. Bonds

About 5,7-difluoro-1-methylphthalazine

5,7-difluoro-1-methylphthalazine (PubChem CID 177201301) has the molecular formula C9H6F2N2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 5,7-difluoro-1-methylphthalazine.

Molecular Properties

Compound Name5,7-difluoro-1-methylphthalazine
PubChem CID177201301
Molecular FormulaC9H6F2N2
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name5,7-difluoro-1-methylphthalazine
SMILESCc1nncc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2/c1-5-7-2-6(10)3-9(11)8(7)4-12-13-5/h2-4H,1H3
InChIKeyDSWDCCYCQTZBDL-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-4-methylcinnoline;ethane
CID 177201340
1,7-dimethyl-5-(trifluoromethyl)phthalazine;ethane
CID 177201146
5,7-difluoro-1-methylisoquinoline;ethane
CID 177201481
3-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 123434856
7-fluoro-N,1,4-trimethylphthalazin-6-amine
CID 166548453
7-bromo-4,6-difluorocinnoline
CID 162682498
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
CID 121236848
4-bromo-6,8-difluoro-2-methylquinazoline
CID 106584293
4,8-dimethylpyrimido[4,5-d]pyridazine
CID 166898202
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
4,5-dimethyl-6-(2,4,6-trifluorophenoxy)pyrimidin-2-amine
CID 163693200

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-methylphthalazine?
The IUPAC name of 5,7-difluoro-1-methylphthalazine (CID 177201301) is 5,7-difluoro-1-methylphthalazine.
What is the SMILES notation for 5,7-difluoro-1-methylphthalazine?
The canonical SMILES for 5,7-difluoro-1-methylphthalazine is Cc1nncc2c(F)cc(F)cc12.
What is the InChIKey of 5,7-difluoro-1-methylphthalazine?
The InChIKey is DSWDCCYCQTZBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2/c1-5-7-2-6(10)3-9(11)8(7)4-12-13-5/h2-4H,1H3.
What are the key properties of 5,7-difluoro-1-methylphthalazine?
5,7-difluoro-1-methylphthalazine has a molecular weight of 180.16 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-methylphthalazine is sourced from PubChem (CID 177201301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).