N-(3-chloro-2-pyridinyl)morpholin-4-amine

C9H12ClN3O — CID 83025582

IUPACN-(3-chloro-2-pyridinyl)morpholin-4-amine
SMILESClc1cccnc1NN1CCOCC1
InChIInChI=1S/C9H12ClN3O/c10-8-2-1-3-11-9(8)12-13-4-6-14-7-5-13/h1-3H,4-7H2,(H,11,12)
InChIKeyDPXGVMYRAUXNJA-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.39
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)morpholin-4-amine

N-(3-chloro-2-pyridinyl)morpholin-4-amine (PubChem CID 83025582) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)morpholin-4-amine
PubChem CID83025582
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC NameN-(3-chloro-2-pyridinyl)morpholin-4-amine
SMILESClc1cccnc1NN1CCOCC1
InChIInChI=1S/C9H12ClN3O/c10-8-2-1-3-11-9(8)12-13-4-6-14-7-5-13/h1-3H,4-7H2,(H,11,12)
InChIKeyDPXGVMYRAUXNJA-UHFFFAOYSA-N
XLogP1.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)morpholin-4-amine?
The IUPAC name of N-(3-chloro-2-pyridinyl)morpholin-4-amine (CID 83025582) is N-(3-chloro-2-pyridinyl)morpholin-4-amine.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)morpholin-4-amine?
The canonical SMILES for N-(3-chloro-2-pyridinyl)morpholin-4-amine is Clc1cccnc1NN1CCOCC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)morpholin-4-amine?
The InChIKey is DPXGVMYRAUXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-2-1-3-11-9(8)12-13-4-6-14-7-5-13/h1-3H,4-7H2,(H,11,12).
What are the key properties of N-(3-chloro-2-pyridinyl)morpholin-4-amine?
N-(3-chloro-2-pyridinyl)morpholin-4-amine has a molecular weight of 213.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)morpholin-4-amine is sourced from PubChem (CID 83025582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).