4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine

C16H11ClFN3 — CID 86668902

IUPAC4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine
SMILESFc1ccccc1Cc1cnc(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H11ClFN3/c17-15-13(8-11-4-1-2-6-14(11)18)10-20-16(21-15)12-5-3-7-19-9-12/h1-7,9-10H,8H2
InChIKeyDNHIGUCRRJRJJF-UHFFFAOYSA-N
MW299.74 g/mol
LogP3.92
Rot. Bonds3

About 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine

4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine (PubChem CID 86668902) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine
PubChem CID86668902
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine
SMILESFc1ccccc1Cc1cnc(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H11ClFN3/c17-15-13(8-11-4-1-2-6-14(11)18)10-20-16(21-15)12-5-3-7-19-9-12/h1-7,9-10H,8H2
InChIKeyDNHIGUCRRJRJJF-UHFFFAOYSA-N
XLogP3.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine (CID 86668902) is 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine is Fc1ccccc1Cc1cnc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine?
The InChIKey is DNHIGUCRRJRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c17-15-13(8-11-4-1-2-6-14(11)18)10-20-16(21-15)12-5-3-7-19-9-12/h1-7,9-10H,8H2.
What are the key properties of 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine?
4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine has a molecular weight of 299.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 86668902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).