4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine

C9H7ClFN3 — CID 154990626

IUPAC4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cnc(C)c(F)c2n1
InChIInChI=1S/C9H7ClFN3/c1-4-7(11)8-6(3-12-4)9(10)14-5(2)13-8/h3H,1-2H3
InChIKeyBEFYUWAHIYCJIT-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.43
Rot. Bonds

About 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine

4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine (PubChem CID 154990626) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine
PubChem CID154990626
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cnc(C)c(F)c2n1
InChIInChI=1S/C9H7ClFN3/c1-4-7(11)8-6(3-12-4)9(10)14-5(2)13-8/h3H,1-2H3
InChIKeyBEFYUWAHIYCJIT-UHFFFAOYSA-N
XLogP2.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine (CID 154990626) is 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)c2cnc(C)c(F)c2n1.
What is the InChIKey of 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine?
The InChIKey is BEFYUWAHIYCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c1-4-7(11)8-6(3-12-4)9(10)14-5(2)13-8/h3H,1-2H3.
What are the key properties of 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine?
4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine has a molecular weight of 211.63 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).