6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine

C10H6ClF2N3 — CID 170549365

IUPAC6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine
SMILESC=Cc1cc2nc(C(F)F)ncc2nc1Cl
InChIInChI=1S/C10H6ClF2N3/c1-2-5-3-6-7(15-8(5)11)4-14-10(16-6)9(12)13/h2-4,9H,1H2
InChIKeyXLSHJRULAIAQOJ-UHFFFAOYSA-N
MW241.63 g/mol
LogP3.26
Rot. Bonds2

About 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine

6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine (PubChem CID 170549365) has the molecular formula C10H6ClF2N3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine
PubChem CID170549365
Molecular FormulaC10H6ClF2N3
Molecular Weight241.63 g/mol
Exact Mass241.02
IUPAC Name6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine
SMILESC=Cc1cc2nc(C(F)F)ncc2nc1Cl
InChIInChI=1S/C10H6ClF2N3/c1-2-5-3-6-7(15-8(5)11)4-14-10(16-6)9(12)13/h2-4,9H,1H2
InChIKeyXLSHJRULAIAQOJ-UHFFFAOYSA-N
XLogP3.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine?
The IUPAC name of 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine (CID 170549365) is 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine is C=Cc1cc2nc(C(F)F)ncc2nc1Cl.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine?
The InChIKey is XLSHJRULAIAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3/c1-2-5-3-6-7(15-8(5)11)4-14-10(16-6)9(12)13/h2-4,9H,1H2.
What are the key properties of 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine?
6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine has a molecular weight of 241.63 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-7-ethenylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 170549365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).