2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine

C9H4Cl2FN3 — CID 88919519

IUPAC2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)c(Cl)cn1
InChIInChI=1S/C9H4Cl2FN3/c10-6-4-14-8(12)3-5(6)7-1-2-13-9(11)15-7/h1-4H
InChIKeyNMYZBBIUMSHNKR-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.98
Rot. Bonds1

About 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine

2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine (PubChem CID 88919519) has the molecular formula C9H4Cl2FN3 and a molecular weight of 244.06 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
PubChem CID88919519
Molecular FormulaC9H4Cl2FN3
Molecular Weight244.06 g/mol
Exact Mass242.98
IUPAC Name2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
SMILESFc1cc(-c2ccnc(Cl)n2)c(Cl)cn1
InChIInChI=1S/C9H4Cl2FN3/c10-6-4-14-8(12)3-5(6)7-1-2-13-9(11)15-7/h1-4H
InChIKeyNMYZBBIUMSHNKR-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.98
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 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine?
The IUPAC name of 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine (CID 88919519) is 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine is Fc1cc(-c2ccnc(Cl)n2)c(Cl)cn1.
What is the InChIKey of 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine?
The InChIKey is NMYZBBIUMSHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3/c10-6-4-14-8(12)3-5(6)7-1-2-13-9(11)15-7/h1-4H.
What are the key properties of 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine?
2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine has a molecular weight of 244.06 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine is sourced from PubChem (CID 88919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).