2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

C10H13N3O — CID 104822478

IUPAC2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCO)cn1
InChIInChI=1S/C10H13N3O/c1-8-2-3-9(7-13-8)10(6-11)12-4-5-14/h2-3,7,10,12,14H,4-5H2,1H3
InChIKeyBRZIJEAFQKJGLW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.54
Rot. Bonds4

About 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (PubChem CID 104822478) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
PubChem CID104822478
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCO)cn1
InChIInChI=1S/C10H13N3O/c1-8-2-3-9(7-13-8)10(6-11)12-4-5-14/h2-3,7,10,12,14H,4-5H2,1H3
InChIKeyBRZIJEAFQKJGLW-UHFFFAOYSA-N
XLogP0.54
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822479
2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937375
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile
CID 103572099
2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 113457122
2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
CID 79583604
2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 55090776
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 11264160
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (CID 104822478) is 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is Cc1ccc(C(C#N)NCCO)cn1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is BRZIJEAFQKJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-2-3-9(7-13-8)10(6-11)12-4-5-14/h2-3,7,10,12,14H,4-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 104822478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).