4-chloro-7-fluoropyrido[2,3-d]pyrimidine

C7H3ClFN3 — CID 10821330

IUPAC4-chloro-7-fluoropyrido[2,3-d]pyrimidine
SMILESFc1ccc2c(Cl)ncnc2n1
InChIInChI=1S/C7H3ClFN3/c8-6-4-1-2-5(9)12-7(4)11-3-10-6/h1-3H
InChIKeyTYHRDKWJKWRQJK-UHFFFAOYSA-N
MW183.57 g/mol
LogP1.82
Rot. Bonds

About 4-chloro-7-fluoropyrido[2,3-d]pyrimidine

4-chloro-7-fluoropyrido[2,3-d]pyrimidine (PubChem CID 10821330) has the molecular formula C7H3ClFN3 and a molecular weight of 183.57 g/mol. Its IUPAC name is 4-chloro-7-fluoropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-fluoropyrido[2,3-d]pyrimidine
PubChem CID10821330
Molecular FormulaC7H3ClFN3
Molecular Weight183.57 g/mol
Exact Mass183.00
IUPAC Name4-chloro-7-fluoropyrido[2,3-d]pyrimidine
SMILESFc1ccc2c(Cl)ncnc2n1
InChIInChI=1S/C7H3ClFN3/c8-6-4-1-2-5(9)12-7(4)11-3-10-6/h1-3H
InChIKeyTYHRDKWJKWRQJK-UHFFFAOYSA-N
XLogP1.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.57
LogP ≤ 51.82
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-fluoropyrido[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-fluoropyrido[2,3-d]pyrimidine (CID 10821330) is 4-chloro-7-fluoropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-fluoropyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-fluoropyrido[2,3-d]pyrimidine is Fc1ccc2c(Cl)ncnc2n1.
What is the InChIKey of 4-chloro-7-fluoropyrido[2,3-d]pyrimidine?
The InChIKey is TYHRDKWJKWRQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3/c8-6-4-1-2-5(9)12-7(4)11-3-10-6/h1-3H.
What are the key properties of 4-chloro-7-fluoropyrido[2,3-d]pyrimidine?
4-chloro-7-fluoropyrido[2,3-d]pyrimidine has a molecular weight of 183.57 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 10821330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).