2-fluoro-3-methyl-2H-quinazoline

C9H9FN2 — CID 150705953

IUPAC2-fluoro-3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1F
InChIInChI=1S/C9H9FN2/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,9H,1H3
InChIKeyJMWBPAHWCKMKCT-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.24
Rot. Bonds

About 2-fluoro-3-methyl-2H-quinazoline

2-fluoro-3-methyl-2H-quinazoline (PubChem CID 150705953) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2H-quinazoline.

Molecular Properties

Compound Name2-fluoro-3-methyl-2H-quinazoline
PubChem CID150705953
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-fluoro-3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1F
InChIInChI=1S/C9H9FN2/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,9H,1H3
InChIKeyJMWBPAHWCKMKCT-UHFFFAOYSA-N
XLogP0.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2H-quinazoline?
The IUPAC name of 2-fluoro-3-methyl-2H-quinazoline (CID 150705953) is 2-fluoro-3-methyl-2H-quinazoline.
What is the SMILES notation for 2-fluoro-3-methyl-2H-quinazoline?
The canonical SMILES for 2-fluoro-3-methyl-2H-quinazoline is CN1C=c2ccccc2=NC1F.
What is the InChIKey of 2-fluoro-3-methyl-2H-quinazoline?
The InChIKey is JMWBPAHWCKMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,9H,1H3.
What are the key properties of 2-fluoro-3-methyl-2H-quinazoline?
2-fluoro-3-methyl-2H-quinazoline has a molecular weight of 164.18 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2H-quinazoline is sourced from PubChem (CID 150705953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).