2-(6-chloro-5-methyl-2-pyridinyl)propanal

C9H10ClNO — CID 174490333

IUPAC2-(6-chloro-5-methyl-2-pyridinyl)propanal
SMILESCc1ccc(C(C)C=O)nc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-3-4-8(7(2)5-12)11-9(6)10/h3-5,7H,1-2H3
InChIKeyHGDWFROGEFHBDX-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.35
Rot. Bonds2

About 2-(6-chloro-5-methyl-2-pyridinyl)propanal

2-(6-chloro-5-methyl-2-pyridinyl)propanal (PubChem CID 174490333) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-pyridinyl)propanal.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-pyridinyl)propanal
PubChem CID174490333
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-(6-chloro-5-methyl-2-pyridinyl)propanal
SMILESCc1ccc(C(C)C=O)nc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-3-4-8(7(2)5-12)11-9(6)10/h3-5,7H,1-2H3
InChIKeyHGDWFROGEFHBDX-UHFFFAOYSA-N
XLogP2.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-pyridinyl)propanal?
The IUPAC name of 2-(6-chloro-5-methyl-2-pyridinyl)propanal (CID 174490333) is 2-(6-chloro-5-methyl-2-pyridinyl)propanal.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-pyridinyl)propanal?
The canonical SMILES for 2-(6-chloro-5-methyl-2-pyridinyl)propanal is Cc1ccc(C(C)C=O)nc1Cl.
What is the InChIKey of 2-(6-chloro-5-methyl-2-pyridinyl)propanal?
The InChIKey is HGDWFROGEFHBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-4-8(7(2)5-12)11-9(6)10/h3-5,7H,1-2H3.
What are the key properties of 2-(6-chloro-5-methyl-2-pyridinyl)propanal?
2-(6-chloro-5-methyl-2-pyridinyl)propanal has a molecular weight of 183.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-pyridinyl)propanal is sourced from PubChem (CID 174490333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).