5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile

C9H11N3O — CID 55293167

IUPAC5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(N)CCO)cn1
InChIInChI=1S/C9H11N3O/c10-5-8-2-1-7(6-12-8)9(11)3-4-13/h1-2,6,9,13H,3-4,11H2
InChIKeySLXQBDMJLMUJBU-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.34
Rot. Bonds3

About 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile

5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile (PubChem CID 55293167) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
PubChem CID55293167
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(N)CCO)cn1
InChIInChI=1S/C9H11N3O/c10-5-8-2-1-7(6-12-8)9(11)3-4-13/h1-2,6,9,13H,3-4,11H2
InChIKeySLXQBDMJLMUJBU-UHFFFAOYSA-N
XLogP0.34
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
CID 131097026
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
CID 130665412
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile
CID 115489997
5-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 171859635
5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
CID 118301745
2-amino-2-(6-cyano-3-pyridinyl)-N-(diaminomethylidene)acetamide
CID 154726104

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile (CID 55293167) is 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile is N#Cc1ccc(C(N)CCO)cn1.
What is the InChIKey of 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile?
The InChIKey is SLXQBDMJLMUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-5-8-2-1-7(6-12-8)9(11)3-4-13/h1-2,6,9,13H,3-4,11H2.
What are the key properties of 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile?
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 55293167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).