2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile

C11H14ClN3O — CID 107061678

IUPAC2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
SMILESCCC(C)(N)COc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-3-11(2,14)7-16-10-9(12)8(6-13)4-5-15-10/h4-5H,3,7,14H2,1-2H3
InChIKeyDHOFAIZTCZJSGM-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile

2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107061678) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107061678
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
SMILESCCC(C)(N)COc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-3-11(2,14)7-16-10-9(12)8(6-13)4-5-15-10/h4-5H,3,7,14H2,1-2H3
InChIKeyDHOFAIZTCZJSGM-UHFFFAOYSA-N
XLogP2.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
CID 71756745
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
CID 64571714
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile (CID 107061678) is 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile is CCC(C)(N)COc1nccc(C#N)c1Cl.
What is the InChIKey of 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is DHOFAIZTCZJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-3-11(2,14)7-16-10-9(12)8(6-13)4-5-15-10/h4-5H,3,7,14H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile?
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 239.71 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).