5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile

C14H18ClN3O — CID 95789107

IUPAC5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCC(C)C[C@H]1COCCN1c1ncc(C#N)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(2)5-12-9-19-4-3-18(12)14-13(15)6-11(7-16)8-17-14/h6,8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyHDVZPIQYBQMLKW-LBPRGKRZSA-N
MW279.77 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile

5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 95789107) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID95789107
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCC(C)C[C@H]1COCCN1c1ncc(C#N)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(2)5-12-9-19-4-3-18(12)14-13(15)6-11(7-16)8-17-14/h6,8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyHDVZPIQYBQMLKW-LBPRGKRZSA-N
XLogP2.86
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile (CID 95789107) is 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile is CC(C)C[C@H]1COCCN1c1ncc(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is HDVZPIQYBQMLKW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)5-12-9-19-4-3-18(12)14-13(15)6-11(7-16)8-17-14/h6,8,10,12H,3-5,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile?
5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 279.77 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95789107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).