2-methyl-3-tetradecylpyridine;hydrobromide

C20H36BrN — CID 175265585

IUPAC2-methyl-3-tetradecylpyridine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCc1cccnc1C
InChIInChI=1S/C20H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21-19(20)2;/h15,17-18H,3-14,16H2,1-2H3;1H
InChIKeyRLLMEXRZBCCJQN-UHFFFAOYSA-N
MW370.42 g/mol
LogP7.21
Rot. Bonds13

About 2-methyl-3-tetradecylpyridine;hydrobromide

2-methyl-3-tetradecylpyridine;hydrobromide (PubChem CID 175265585) has the molecular formula C20H36BrN and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-methyl-3-tetradecylpyridine;hydrobromide.

Molecular Properties

Compound Name2-methyl-3-tetradecylpyridine;hydrobromide
PubChem CID175265585
Molecular FormulaC20H36BrN
Molecular Weight370.42 g/mol
Exact Mass369.20
IUPAC Name2-methyl-3-tetradecylpyridine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCc1cccnc1C
InChIInChI=1S/C20H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21-19(20)2;/h15,17-18H,3-14,16H2,1-2H3;1H
InChIKeyRLLMEXRZBCCJQN-UHFFFAOYSA-N
XLogP7.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 57.21
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

3-heptyl-2-methylpyridine
CID 134369519
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-methyl-3-propylpyridine
CID 18662893
3-(3-chloropropyl)-2-methylpyridine
CID 86128501
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
2-chloro-3-pentylpyridine
CID 54505218
2-dodecyl-3-ethylpyridine
CID 160514040
ethane;2-methyl-3-propylpyridine;1-propoxybutane
CID 153393005
2-nonylpyrimidine
CID 23297050
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tetradecylpyridine;hydrobromide?
The IUPAC name of 2-methyl-3-tetradecylpyridine;hydrobromide (CID 175265585) is 2-methyl-3-tetradecylpyridine;hydrobromide.
What is the SMILES notation for 2-methyl-3-tetradecylpyridine;hydrobromide?
The canonical SMILES for 2-methyl-3-tetradecylpyridine;hydrobromide is Br.CCCCCCCCCCCCCCc1cccnc1C.
What is the InChIKey of 2-methyl-3-tetradecylpyridine;hydrobromide?
The InChIKey is RLLMEXRZBCCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21-19(20)2;/h15,17-18H,3-14,16H2,1-2H3;1H.
What are the key properties of 2-methyl-3-tetradecylpyridine;hydrobromide?
2-methyl-3-tetradecylpyridine;hydrobromide has a molecular weight of 370.42 g/mol, XLogP of 7.21, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tetradecylpyridine;hydrobromide is sourced from PubChem (CID 175265585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).