4-(3-hexylphenyl)pyridine-2-carbaldehyde

C18H21NO — CID 54188949

IUPAC4-(3-hexylphenyl)pyridine-2-carbaldehyde
SMILESCCCCCCc1cccc(-c2ccnc(C=O)c2)c1
InChIInChI=1S/C18H21NO/c1-2-3-4-5-7-15-8-6-9-16(12-15)17-10-11-19-18(13-17)14-20/h6,8-14H,2-5,7H2,1H3
InChIKeyIWLFIVNXUIJIHO-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.68
Rot. Bonds7

About 4-(3-hexylphenyl)pyridine-2-carbaldehyde

4-(3-hexylphenyl)pyridine-2-carbaldehyde (PubChem CID 54188949) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(3-hexylphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-hexylphenyl)pyridine-2-carbaldehyde
PubChem CID54188949
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-(3-hexylphenyl)pyridine-2-carbaldehyde
SMILESCCCCCCc1cccc(-c2ccnc(C=O)c2)c1
InChIInChI=1S/C18H21NO/c1-2-3-4-5-7-15-8-6-9-16(12-15)17-10-11-19-18(13-17)14-20/h6,8-14H,2-5,7H2,1H3
InChIKeyIWLFIVNXUIJIHO-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1-methyl-3-(3-octylphenyl)benzene
CID 142319117
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
1,3-di(tetradecyl)benzene
CID 91053224
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
2-octylazulene
CID 101406191
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104

Frequently Asked Questions

What is the IUPAC name of 4-(3-hexylphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(3-hexylphenyl)pyridine-2-carbaldehyde (CID 54188949) is 4-(3-hexylphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(3-hexylphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(3-hexylphenyl)pyridine-2-carbaldehyde is CCCCCCc1cccc(-c2ccnc(C=O)c2)c1.
What is the InChIKey of 4-(3-hexylphenyl)pyridine-2-carbaldehyde?
The InChIKey is IWLFIVNXUIJIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-3-4-5-7-15-8-6-9-16(12-15)17-10-11-19-18(13-17)14-20/h6,8-14H,2-5,7H2,1H3.
What are the key properties of 4-(3-hexylphenyl)pyridine-2-carbaldehyde?
4-(3-hexylphenyl)pyridine-2-carbaldehyde has a molecular weight of 267.37 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hexylphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 54188949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).