2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine

C10H7ClFN3 — CID 79079168

IUPAC2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
SMILESFc1cnc(Cl)nc1Cc1ccncc1
InChIInChI=1S/C10H7ClFN3/c11-10-14-6-8(12)9(15-10)5-7-1-3-13-4-2-7/h1-4,6H,5H2
InChIKeyOOLSCAQBGMTQNP-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine

2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine (PubChem CID 79079168) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
PubChem CID79079168
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
SMILESFc1cnc(Cl)nc1Cc1ccncc1
InChIInChI=1S/C10H7ClFN3/c11-10-14-6-8(12)9(15-10)5-7-1-3-13-4-2-7/h1-4,6H,5H2
InChIKeyOOLSCAQBGMTQNP-UHFFFAOYSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine (CID 79079168) is 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine is Fc1cnc(Cl)nc1Cc1ccncc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine?
The InChIKey is OOLSCAQBGMTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-10-14-6-8(12)9(15-10)5-7-1-3-13-4-2-7/h1-4,6H,5H2.
What are the key properties of 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine?
2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine has a molecular weight of 223.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 79079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).