7-chlorohexadecane;pyridine

C21H38ClN — CID 67860983

IUPAC7-chlorohexadecane;pyridine
SMILESCCCCCCCCCC(Cl)CCCCCC.c1ccncc1
InChIInChI=1S/C16H33Cl.C5H5N/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2;1-2-4-6-5-3-1/h16H,3-15H2,1-2H3;1-5H
InChIKeyAUMHZVNCZSYGRC-UHFFFAOYSA-N
MW339.99 g/mol
LogP7.79
Rot. Bonds13

About 7-chlorohexadecane;pyridine

7-chlorohexadecane;pyridine (PubChem CID 67860983) has the molecular formula C21H38ClN and a molecular weight of 339.99 g/mol. Its IUPAC name is 7-chlorohexadecane;pyridine.

Molecular Properties

Compound Name7-chlorohexadecane;pyridine
PubChem CID67860983
Molecular FormulaC21H38ClN
Molecular Weight339.99 g/mol
Exact Mass339.27
IUPAC Name7-chlorohexadecane;pyridine
SMILESCCCCCCCCCC(Cl)CCCCCC.c1ccncc1
InChIInChI=1S/C16H33Cl.C5H5N/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2;1-2-4-6-5-3-1/h16H,3-15H2,1-2H3;1-5H
InChIKeyAUMHZVNCZSYGRC-UHFFFAOYSA-N
XLogP7.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.99
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-chlorotritriacontane
CID 87852962
1-chlorooctane;pyridine
CID 19599073
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
CID 173387183
CID 173387183
1-chlorododecyl prop-2-enoate;pyridine
CID 146356185
3-chlorohenicosane
CID 87067964
2-(2-chlorononyl)pyridine
CID 66459167
3-chlorohexadecane
CID 63459281
1-bromo-3-chloropentadecane
CID 122583656

Frequently Asked Questions

What is the IUPAC name of 7-chlorohexadecane;pyridine?
The IUPAC name of 7-chlorohexadecane;pyridine (CID 67860983) is 7-chlorohexadecane;pyridine.
What is the SMILES notation for 7-chlorohexadecane;pyridine?
The canonical SMILES for 7-chlorohexadecane;pyridine is CCCCCCCCCC(Cl)CCCCCC.c1ccncc1.
What is the InChIKey of 7-chlorohexadecane;pyridine?
The InChIKey is AUMHZVNCZSYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Cl.C5H5N/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2;1-2-4-6-5-3-1/h16H,3-15H2,1-2H3;1-5H.
What are the key properties of 7-chlorohexadecane;pyridine?
7-chlorohexadecane;pyridine has a molecular weight of 339.99 g/mol, XLogP of 7.79, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorohexadecane;pyridine is sourced from PubChem (CID 67860983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).