2-chloro-7-fluoro-8-methylquinazoline

C9H6ClFN2 — CID 59615339

IUPAC2-chloro-7-fluoro-8-methylquinazoline
SMILESCc1c(F)ccc2cnc(Cl)nc12
InChIInChI=1S/C9H6ClFN2/c1-5-7(11)3-2-6-4-12-9(10)13-8(5)6/h2-4H,1H3
InChIKeyNJPMPIGZFJUSIM-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.73
Rot. Bonds

About 2-chloro-7-fluoro-8-methylquinazoline

2-chloro-7-fluoro-8-methylquinazoline (PubChem CID 59615339) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 2-chloro-7-fluoro-8-methylquinazoline.

Molecular Properties

Compound Name2-chloro-7-fluoro-8-methylquinazoline
PubChem CID59615339
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name2-chloro-7-fluoro-8-methylquinazoline
SMILESCc1c(F)ccc2cnc(Cl)nc12
InChIInChI=1S/C9H6ClFN2/c1-5-7(11)3-2-6-4-12-9(10)13-8(5)6/h2-4H,1H3
InChIKeyNJPMPIGZFJUSIM-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-8-methylquinazoline?
The IUPAC name of 2-chloro-7-fluoro-8-methylquinazoline (CID 59615339) is 2-chloro-7-fluoro-8-methylquinazoline.
What is the SMILES notation for 2-chloro-7-fluoro-8-methylquinazoline?
The canonical SMILES for 2-chloro-7-fluoro-8-methylquinazoline is Cc1c(F)ccc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-7-fluoro-8-methylquinazoline?
The InChIKey is NJPMPIGZFJUSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c1-5-7(11)3-2-6-4-12-9(10)13-8(5)6/h2-4H,1H3.
What are the key properties of 2-chloro-7-fluoro-8-methylquinazoline?
2-chloro-7-fluoro-8-methylquinazoline has a molecular weight of 196.61 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-8-methylquinazoline is sourced from PubChem (CID 59615339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).