4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine

C8H5ClFN3 — CID 21303213

IUPAC4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)ncnc2nc1F
InChIInChI=1S/C8H5ClFN3/c1-4-2-5-6(9)11-3-12-8(5)13-7(4)10/h2-3H,1H3
InChIKeyNVRXYGVNTNHHKT-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.13
Rot. Bonds

About 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine

4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine (PubChem CID 21303213) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine
PubChem CID21303213
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)ncnc2nc1F
InChIInChI=1S/C8H5ClFN3/c1-4-2-5-6(9)11-3-12-8(5)13-7(4)10/h2-3H,1H3
InChIKeyNVRXYGVNTNHHKT-UHFFFAOYSA-N
XLogP2.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.13
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 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine (CID 21303213) is 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine is Cc1cc2c(Cl)ncnc2nc1F.
What is the InChIKey of 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine?
The InChIKey is NVRXYGVNTNHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c1-4-2-5-6(9)11-3-12-8(5)13-7(4)10/h2-3H,1H3.
What are the key properties of 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine?
4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine has a molecular weight of 197.60 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 21303213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).