5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile

C10H13N3O2 — CID 171880909

IUPAC5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(O)C(O)CCN)c1
InChIInChI=1S/C10H13N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1-2,11H2
InChIKeyIQXURNYBBREPCI-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.30
Rot. Bonds4

About 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile

5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile (PubChem CID 171880909) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
PubChem CID171880909
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(O)C(O)CCN)c1
InChIInChI=1S/C10H13N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1-2,11H2
InChIKeyIQXURNYBBREPCI-UHFFFAOYSA-N
XLogP-0.30
TPSA103.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
5-(4-amino-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171881230
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
4-(4-amino-1,2-dihydroxybutyl)thiophene-2-carbonitrile
CID 171880737
9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886285
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710
4-(4-amino-1,2-dihydroxybutyl)-2-chlorobenzonitrile
CID 171881285
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
4-(4-amino-1,2-dihydroxybutyl)-3-nitrobenzonitrile
CID 171881893
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile (CID 171880909) is 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile is N#Cc1cncc(C(O)C(O)CCN)c1.
What is the InChIKey of 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile?
The InChIKey is IQXURNYBBREPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1-2,11H2.
What are the key properties of 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile?
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171880909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).