4-pyridin-2-ylheptanal

C12H17NO — CID 88746457

IUPAC4-pyridin-2-ylheptanal
SMILESCCCC(CCC=O)c1ccccn1
InChIInChI=1S/C12H17NO/c1-2-6-11(7-5-10-14)12-8-3-4-9-13-12/h3-4,8-11H,2,5-7H2,1H3
InChIKeyOAEITYDRNHLXCT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.94
Rot. Bonds6

About 4-pyridin-2-ylheptanal

4-pyridin-2-ylheptanal (PubChem CID 88746457) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-pyridin-2-ylheptanal.

Molecular Properties

Compound Name4-pyridin-2-ylheptanal
PubChem CID88746457
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-pyridin-2-ylheptanal
SMILESCCCC(CCC=O)c1ccccn1
InChIInChI=1S/C12H17NO/c1-2-6-11(7-5-10-14)12-8-3-4-9-13-12/h3-4,8-11H,2,5-7H2,1H3
InChIKeyOAEITYDRNHLXCT-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decan-4-ylpyridine
CID 67882797
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
2-tridecan-6-ylpyridine
CID 139295924
2-heptan-4-ylpyridine;4-hexan-3-ylpyridazine
CID 177190805
ethane;2-pentan-3-ylpyridine
CID 142883968
2-(1-fluorobutyl)pyridine
CID 66584665
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
3-pyridin-2-ylheptanenitrile
CID 70542151

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylheptanal?
The IUPAC name of 4-pyridin-2-ylheptanal (CID 88746457) is 4-pyridin-2-ylheptanal.
What is the SMILES notation for 4-pyridin-2-ylheptanal?
The canonical SMILES for 4-pyridin-2-ylheptanal is CCCC(CCC=O)c1ccccn1.
What is the InChIKey of 4-pyridin-2-ylheptanal?
The InChIKey is OAEITYDRNHLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-6-11(7-5-10-14)12-8-3-4-9-13-12/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of 4-pyridin-2-ylheptanal?
4-pyridin-2-ylheptanal has a molecular weight of 191.27 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylheptanal is sourced from PubChem (CID 88746457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).