4-heptyl-3-methylpyridine

C13H21N — CID 143666243

IUPAC4-heptyl-3-methylpyridine
SMILESCCCCCCCc1ccncc1C
InChIInChI=1S/C13H21N/c1-3-4-5-6-7-8-13-9-10-14-11-12(13)2/h9-11H,3-8H2,1-2H3
InChIKeyIHHDRFQZWNIMAZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.90
Rot. Bonds6

About 4-heptyl-3-methylpyridine

4-heptyl-3-methylpyridine (PubChem CID 143666243) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-heptyl-3-methylpyridine.

Molecular Properties

Compound Name4-heptyl-3-methylpyridine
PubChem CID143666243
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-heptyl-3-methylpyridine
SMILESCCCCCCCc1ccncc1C
InChIInChI=1S/C13H21N/c1-3-4-5-6-7-8-13-9-10-14-11-12(13)2/h9-11H,3-8H2,1-2H3
InChIKeyIHHDRFQZWNIMAZ-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octylpyridine-3-carbonitrile
CID 102497290
3-methoxy-4-pentylpyridine
CID 170214218
4-hexylpyridine-3-carboxylic acid
CID 54526352
2-hexyl-1-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109394584
3-dodecyl-4-ethenylpyridine
CID 23503907
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
methyl 4-tridecylpyridine-3-carboxylate
CID 135057818
(4-butyl-3-pyridinyl)methanol
CID 173058896
4-pentyl-3-phenoxypyridine
CID 173046751
1-methyl-2-nonylbenzene;2H-triazole
CID 174954534
1-methyl-2-pentylbenzene
CID 524553
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-3-methylpyridine?
The IUPAC name of 4-heptyl-3-methylpyridine (CID 143666243) is 4-heptyl-3-methylpyridine.
What is the SMILES notation for 4-heptyl-3-methylpyridine?
The canonical SMILES for 4-heptyl-3-methylpyridine is CCCCCCCc1ccncc1C.
What is the InChIKey of 4-heptyl-3-methylpyridine?
The InChIKey is IHHDRFQZWNIMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-5-6-7-8-13-9-10-14-11-12(13)2/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-heptyl-3-methylpyridine?
4-heptyl-3-methylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-3-methylpyridine is sourced from PubChem (CID 143666243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).