2-chloro-6-hexan-3-yl-4-methoxypyridine

C12H18ClNO — CID 135217135

IUPAC2-chloro-6-hexan-3-yl-4-methoxypyridine
SMILESCCCC(CC)c1cc(OC)cc(Cl)n1
InChIInChI=1S/C12H18ClNO/c1-4-6-9(5-2)11-7-10(15-3)8-12(13)14-11/h7-9H,4-6H2,1-3H3
InChIKeyNWDQETXJFUOPKG-UHFFFAOYSA-N
MW227.73 g/mol
LogP4.04
Rot. Bonds5

About 2-chloro-6-hexan-3-yl-4-methoxypyridine

2-chloro-6-hexan-3-yl-4-methoxypyridine (PubChem CID 135217135) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-chloro-6-hexan-3-yl-4-methoxypyridine.

Molecular Properties

Compound Name2-chloro-6-hexan-3-yl-4-methoxypyridine
PubChem CID135217135
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-chloro-6-hexan-3-yl-4-methoxypyridine
SMILESCCCC(CC)c1cc(OC)cc(Cl)n1
InChIInChI=1S/C12H18ClNO/c1-4-6-9(5-2)11-7-10(15-3)8-12(13)14-11/h7-9H,4-6H2,1-3H3
InChIKeyNWDQETXJFUOPKG-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride
CID 142763584
4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
CID 134171694
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
1-[3-(chloromethyl)pentoxy]-4-methoxybenzene
CID 66036581
2-(1-bromo-2-propylpentyl)-1,3,5-trimethoxybenzene
CID 82990059
2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
CID 82990027
3-(8-bromo-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-(1-chloropentan-3-yl)-1H-pyrazin-2-one
CID 69396012
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
O-(5-hexan-3-ylpyrazin-2-yl)hydroxylamine
CID 170361345
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
CID 70528120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hexan-3-yl-4-methoxypyridine?
The IUPAC name of 2-chloro-6-hexan-3-yl-4-methoxypyridine (CID 135217135) is 2-chloro-6-hexan-3-yl-4-methoxypyridine.
What is the SMILES notation for 2-chloro-6-hexan-3-yl-4-methoxypyridine?
The canonical SMILES for 2-chloro-6-hexan-3-yl-4-methoxypyridine is CCCC(CC)c1cc(OC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hexan-3-yl-4-methoxypyridine?
The InChIKey is NWDQETXJFUOPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-6-9(5-2)11-7-10(15-3)8-12(13)14-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-chloro-6-hexan-3-yl-4-methoxypyridine?
2-chloro-6-hexan-3-yl-4-methoxypyridine has a molecular weight of 227.73 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hexan-3-yl-4-methoxypyridine is sourced from PubChem (CID 135217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).