4-(2-chloro-3-pyridinyl)but-3-ynamide

C9H7ClN2O — CID 170472500

IUPAC4-(2-chloro-3-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cccnc1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-7(4-2-6-12-9)3-1-5-8(11)13/h2,4,6H,5H2,(H2,11,13)
InChIKeyJBHDGNZXXGUYTP-UHFFFAOYSA-N
MW194.62 g/mol
LogP0.96
Rot. Bonds1

About 4-(2-chloro-3-pyridinyl)but-3-ynamide

4-(2-chloro-3-pyridinyl)but-3-ynamide (PubChem CID 170472500) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-(2-chloro-3-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-chloro-3-pyridinyl)but-3-ynamide
PubChem CID170472500
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-(2-chloro-3-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cccnc1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-7(4-2-6-12-9)3-1-5-8(11)13/h2,4,6H,5H2,(H2,11,13)
InChIKeyJBHDGNZXXGUYTP-UHFFFAOYSA-N
XLogP0.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
3-(4-bromobut-1-ynyl)-2-chloropyridine
CID 170465544
4-(4-pyridin-2-ylphenyl)but-3-ynamide
CID 170473846
4-(3-methoxy-2-pyridinyl)but-3-ynamide
CID 170472810
4-(2,4-dichlorophenyl)but-3-ynamide
CID 170472586
4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
4-(2,3,5-trichlorophenyl)but-3-ynamide
CID 170472839
ethyl 4-(2-amino-3-pyridinyl)but-3-ynoate
CID 170470682
4-(4-amino-2,5-dichlorophenyl)but-3-ynamide
CID 170473099
4-(2-propan-2-yloxyphenyl)but-3-ynamide
CID 170473356

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(2-chloro-3-pyridinyl)but-3-ynamide (CID 170472500) is 4-(2-chloro-3-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(2-chloro-3-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(2-chloro-3-pyridinyl)but-3-ynamide is NC(=O)CC#Cc1cccnc1Cl.
What is the InChIKey of 4-(2-chloro-3-pyridinyl)but-3-ynamide?
The InChIKey is JBHDGNZXXGUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9-7(4-2-6-12-9)3-1-5-8(11)13/h2,4,6H,5H2,(H2,11,13).
What are the key properties of 4-(2-chloro-3-pyridinyl)but-3-ynamide?
4-(2-chloro-3-pyridinyl)but-3-ynamide has a molecular weight of 194.62 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).