2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine

C17H13ClN2O — CID 102823956

IUPAC2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine
SMILESClc1cc(Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C17H13ClN2O/c18-17-12-13(10-11-19-17)20-15-8-4-5-9-16(15)21-14-6-2-1-3-7-14/h1-12H,(H,19,20)
InChIKeyWRYMDVONSKAPCG-UHFFFAOYSA-N
MW296.76 g/mol
LogP5.27
Rot. Bonds4

About 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine

2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine (PubChem CID 102823956) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine
PubChem CID102823956
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine
SMILESClc1cc(Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C17H13ClN2O/c18-17-12-13(10-11-19-17)20-15-8-4-5-9-16(15)21-14-6-2-1-3-7-14/h1-12H,(H,19,20)
InChIKeyWRYMDVONSKAPCG-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.76
LogP ≤ 55.27
H-Bond Donors ≤ 51
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-N-(2-phenoxyphenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine (CID 102823956) is 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine is Clc1cc(Nc2ccccc2Oc2ccccc2)ccn1.
What is the InChIKey of 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine?
The InChIKey is WRYMDVONSKAPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-17-12-13(10-11-19-17)20-15-8-4-5-9-16(15)21-14-6-2-1-3-7-14/h1-12H,(H,19,20).
What are the key properties of 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine?
2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine has a molecular weight of 296.76 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenoxyphenyl)pyridin-4-amine is sourced from PubChem (CID 102823956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).