6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine

C15H16ClN3O — CID 86766839

IUPAC6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine
SMILESClc1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C15H16ClN3O/c16-15-6-5-13(9-18-15)19-12-3-1-11(2-4-12)14-10-17-7-8-20-14/h1-6,9,14,17,19H,7-8,10H2/t14-/m0/s1
InChIKeyZTUSLTUXEGAINP-AWEZNQCLSA-N
MW289.77 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine

6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine (PubChem CID 86766839) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine
PubChem CID86766839
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine
SMILESClc1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C15H16ClN3O/c16-15-6-5-13(9-18-15)19-12-3-1-11(2-4-12)14-10-17-7-8-20-14/h1-6,9,14,17,19H,7-8,10H2/t14-/m0/s1
InChIKeyZTUSLTUXEGAINP-AWEZNQCLSA-N
XLogP3.14
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine (CID 86766839) is 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine is Clc1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1.
What is the InChIKey of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine?
The InChIKey is ZTUSLTUXEGAINP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-15-6-5-13(9-18-15)19-12-3-1-11(2-4-12)14-10-17-7-8-20-14/h1-6,9,14,17,19H,7-8,10H2/t14-/m0/s1.
What are the key properties of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine?
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine has a molecular weight of 289.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridin-3-amine is sourced from PubChem (CID 86766839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).