4-(2-chloro-5-fluorophenyl)pyridin-3-amine

C11H8ClFN2 — CID 105395669

IUPAC4-(2-chloro-5-fluorophenyl)pyridin-3-amine
SMILESNc1cnccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2/c12-10-2-1-7(13)5-9(10)8-3-4-15-6-11(8)14/h1-6H,14H2
InChIKeyDPYPMCYGYDTRDO-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.12
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)pyridin-3-amine

4-(2-chloro-5-fluorophenyl)pyridin-3-amine (PubChem CID 105395669) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)pyridin-3-amine
PubChem CID105395669
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-(2-chloro-5-fluorophenyl)pyridin-3-amine
SMILESNc1cnccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2/c12-10-2-1-7(13)5-9(10)8-3-4-15-6-11(8)14/h1-6H,14H2
InChIKeyDPYPMCYGYDTRDO-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)pyridin-3-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)pyridin-3-amine (CID 105395669) is 4-(2-chloro-5-fluorophenyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)pyridin-3-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)pyridin-3-amine is Nc1cnccc1-c1cc(F)ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)pyridin-3-amine?
The InChIKey is DPYPMCYGYDTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-10-2-1-7(13)5-9(10)8-3-4-15-6-11(8)14/h1-6H,14H2.
What are the key properties of 4-(2-chloro-5-fluorophenyl)pyridin-3-amine?
4-(2-chloro-5-fluorophenyl)pyridin-3-amine has a molecular weight of 222.65 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)pyridin-3-amine is sourced from PubChem (CID 105395669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).