3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde

C21H21NO — CID 174716638

IUPAC3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde
SMILESCCCCCc1cnc(C=O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO/c1-2-3-4-7-16-12-20(21(15-23)22-14-16)19-11-10-17-8-5-6-9-18(17)13-19/h5-6,8-15H,2-4,7H2,1H3
InChIKeyPXQBOPGKOSIVKZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.45
Rot. Bonds6

About 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde

3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde (PubChem CID 174716638) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde
PubChem CID174716638
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde
SMILESCCCCCc1cnc(C=O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO/c1-2-3-4-7-16-12-20(21(15-23)22-14-16)19-11-10-17-8-5-6-9-18(17)13-19/h5-6,8-15H,2-4,7H2,1H3
InChIKeyPXQBOPGKOSIVKZ-UHFFFAOYSA-N
XLogP5.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.45
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

5-hexyl-2-methyl-3-phenylpyridine
CID 102336326
ethane;2-hexylnaphthalene
CID 142191207
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-(2-butylphenyl)naphthalene
CID 58626566
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
9-naphthalen-2-yl-2-octylanthracene
CID 174689718
2-octylanthracene
CID 23131226
1-dodecyl-2-naphthalen-2-ylpyrene
CID 174543622
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde?
The IUPAC name of 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde (CID 174716638) is 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde?
The canonical SMILES for 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde is CCCCCc1cnc(C=O)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde?
The InChIKey is PXQBOPGKOSIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-3-4-7-16-12-20(21(15-23)22-14-16)19-11-10-17-8-5-6-9-18(17)13-19/h5-6,8-15H,2-4,7H2,1H3.
What are the key properties of 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde?
3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde has a molecular weight of 303.41 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-pentylpyridine-2-carbaldehyde is sourced from PubChem (CID 174716638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).