2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile

C8H6ClN3O — CID 15067145

IUPAC2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)CCl)cnc1N
InChIInChI=1S/C8H6ClN3O/c9-2-7(13)6-1-5(3-10)8(11)12-4-6/h1,4H,2H2,(H2,11,12)
InChIKeyPQESYKJVQQBOSM-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.96
Rot. Bonds2

About 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile

2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile (PubChem CID 15067145) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile
PubChem CID15067145
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)CCl)cnc1N
InChIInChI=1S/C8H6ClN3O/c9-2-7(13)6-1-5(3-10)8(11)12-4-6/h1,4H,2H2,(H2,11,12)
InChIKeyPQESYKJVQQBOSM-UHFFFAOYSA-N
XLogP0.96
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-hydroxybenzoyl)pyridine-3-carbonitrile
CID 14714980
4,5-diamino-2-(2-chloroacetyl)benzonitrile
CID 171012333
4-amino-2-chloro-5-(2-chloroacetyl)benzonitrile
CID 171017962
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
5-amino-4-(2-chloroacetyl)-2-methylbenzonitrile
CID 171013121
2,5-diamino-3-(2-chloroacetyl)benzonitrile
CID 171012540
2-amino-3-(2-chloroacetyl)-4-hydroxybenzonitrile
CID 171011619
4-amino-2-chloro-3-(2-chloroacetyl)benzonitrile
CID 171021852
2-amino-4-(2-chloroacetyl)-5-methylbenzonitrile
CID 171013585
2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
CID 170481970
ethyl 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoate
CID 170796244
5-(2-chloroacetyl)-2-formyl-3-methoxybenzonitrile
CID 171016520

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile (CID 15067145) is 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile is N#Cc1cc(C(=O)CCl)cnc1N.
What is the InChIKey of 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile?
The InChIKey is PQESYKJVQQBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-2-7(13)6-1-5(3-10)8(11)12-4-6/h1,4H,2H2,(H2,11,12).
What are the key properties of 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile?
2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile has a molecular weight of 195.61 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile is sourced from PubChem (CID 15067145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).