4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile

C11H10ClN3O2 — CID 71980148

IUPAC4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3O2/c12-8-1-2-10(14-6-8)11(16)15-3-4-17-7-9(15)5-13/h1-2,6,9H,3-4,7H2
InChIKeyTZDSOUZANXEBFY-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.10
Rot. Bonds1

About 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile

4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile (PubChem CID 71980148) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
PubChem CID71980148
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3O2/c12-8-1-2-10(14-6-8)11(16)15-3-4-17-7-9(15)5-13/h1-2,6,9H,3-4,7H2
InChIKeyTZDSOUZANXEBFY-UHFFFAOYSA-N
XLogP1.10
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile (CID 71980148) is 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile is N#CC1COCCN1C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile?
The InChIKey is TZDSOUZANXEBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-1-2-10(14-6-8)11(16)15-3-4-17-7-9(15)5-13/h1-2,6,9H,3-4,7H2.
What are the key properties of 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile?
4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile has a molecular weight of 251.67 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile is sourced from PubChem (CID 71980148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).