[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine

C11H9ClFN3 — CID 89351224

IUPAC[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C11H9ClFN3/c12-11-15-4-3-10(16-11)9-5-8(13)2-1-7(9)6-14/h1-5H,6,14H2
InChIKeyLMLXHWNZJJIMLT-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.39
Rot. Bonds2

About [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine

[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine (PubChem CID 89351224) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
PubChem CID89351224
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C11H9ClFN3/c12-11-15-4-3-10(16-11)9-5-8(13)2-1-7(9)6-14/h1-5H,6,14H2
InChIKeyLMLXHWNZJJIMLT-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine (CID 89351224) is [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1-c1ccnc(Cl)n1.
What is the InChIKey of [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine?
The InChIKey is LMLXHWNZJJIMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-11-15-4-3-10(16-11)9-5-8(13)2-1-7(9)6-14/h1-5H,6,14H2.
What are the key properties of [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine?
[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine has a molecular weight of 237.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 89351224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).