2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride

C8H10ClNO — CID 175925815

IUPAC2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
SMILESCc1cc(CC=O)ccn1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-7-6-8(3-5-10)2-4-9-7;/h2,4-6H,3H2,1H3;1H
InChIKeyCDPUAOMYZBVPLW-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.55
Rot. Bonds2

About 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride

2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride (PubChem CID 175925815) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
PubChem CID175925815
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
SMILESCc1cc(CC=O)ccn1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-7-6-8(3-5-10)2-4-9-7;/h2,4-6H,3H2,1H3;1H
InChIKeyCDPUAOMYZBVPLW-UHFFFAOYSA-N
XLogP1.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride (CID 175925815) is 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride is Cc1cc(CC=O)ccn1.Cl.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride?
The InChIKey is CDPUAOMYZBVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-7-6-8(3-5-10)2-4-9-7;/h2,4-6H,3H2,1H3;1H.
What are the key properties of 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride?
2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride is sourced from PubChem (CID 175925815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).