2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile

C9H10ClN3O — CID 107061653

IUPAC2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCCN)c1Cl
InChIInChI=1S/C9H10ClN3O/c10-8-7(6-12)2-4-13-9(8)14-5-1-3-11/h2,4H,1,3,5,11H2
InChIKeyXULDGIXRELLSEF-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile

2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107061653) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107061653
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCCN)c1Cl
InChIInChI=1S/C9H10ClN3O/c10-8-7(6-12)2-4-13-9(8)14-5-1-3-11/h2,4H,1,3,5,11H2
InChIKeyXULDGIXRELLSEF-UHFFFAOYSA-N
XLogP1.33
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
2-Chloro-6-((2-chloropyridin-4-yl)methoxy)isonicotinonitrile
CID 44409803
3-Chloro-2-ethoxypyridine
CID 11959087
2-(Piperidin-4-yloxy)nicotinonitrile
CID 45786940
3-Chloro-2-piperidin-4-yloxypyridine
CID 62344243
2-(2-(Dimethylamino)ethoxy)pyridine-4-carbonitrile
CID 61102091
5-Chloro-2-(piperidin-4-yloxy)pyridine
CID 11264329
6-Ethoxypyridine-3-carbonitrile
CID 18929445
2-(Butan-2-yloxy)pyridine-4-carbonitrile
CID 60903771
2-((3,5-Dichloropyridin-2-yl)oxy)ethan-1-amine hydrochloride
CID 71756220
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine
CID 13604415
(2-Ethoxypyridin-4-yl)methanamine
CID 16784048

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile (CID 107061653) is 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(OCCCN)c1Cl.
What is the InChIKey of 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is XULDGIXRELLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-8-7(6-12)2-4-13-9(8)14-5-1-3-11/h2,4H,1,3,5,11H2.
What are the key properties of 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile?
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 211.65 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).