2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine

C8H7Cl2N3 — CID 89474236

IUPAC2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine
SMILESCN1C(Cl)=c2cccnc2=NC1Cl
InChIInChI=1S/C8H7Cl2N3/c1-13-6(9)5-3-2-4-11-7(5)12-8(13)10/h2-4,8H,1H3
InChIKeyNUZYWUAWNVDQEL-UHFFFAOYSA-N
MW216.07 g/mol
LogP0.47
Rot. Bonds

About 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine

2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine (PubChem CID 89474236) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine
PubChem CID89474236
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine
SMILESCN1C(Cl)=c2cccnc2=NC1Cl
InChIInChI=1S/C8H7Cl2N3/c1-13-6(9)5-3-2-4-11-7(5)12-8(13)10/h2-4,8H,1H3
InChIKeyNUZYWUAWNVDQEL-UHFFFAOYSA-N
XLogP0.47
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine (CID 89474236) is 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine is CN1C(Cl)=c2cccnc2=NC1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine?
The InChIKey is NUZYWUAWNVDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c1-13-6(9)5-3-2-4-11-7(5)12-8(13)10/h2-4,8H,1H3.
What are the key properties of 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine?
2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine has a molecular weight of 216.07 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-2H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 89474236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).