4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine

C11H14ClNO — CID 162412127

IUPAC4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
SMILESCc1cc(Cl)cc([C@@H]2CCCCO2)n1
InChIInChI=1S/C11H14ClNO/c1-8-6-9(12)7-10(13-8)11-4-2-3-5-14-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1
InChIKeySYAPTBQLWITMLP-NSHDSACASA-N
MW211.69 g/mol
LogP3.29
Rot. Bonds1

About 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine

4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine (PubChem CID 162412127) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
PubChem CID162412127
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
SMILESCc1cc(Cl)cc([C@@H]2CCCCO2)n1
InChIInChI=1S/C11H14ClNO/c1-8-6-9(12)7-10(13-8)11-4-2-3-5-14-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1
InChIKeySYAPTBQLWITMLP-NSHDSACASA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(oxan-2-yl)pyrimidine
CID 172993090
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
4-chloro-2-(chloromethyl)-6-(oxolan-2-yl)pyrimidine
CID 102538380
7-methyl-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117134276
2,6-bis(oxolan-2-yl)pyridine-4-carbonitrile
CID 14024161
6-iodo-2-methyl-4-(oxan-2-yl)quinoline
CID 146169342
2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine
CID 65328331
methyl 2-chloro-6-(oxan-2-yl)pyridine-3-carboxylate
CID 178200817
3-methoxy-6-(oxan-2-yl)pyridazine
CID 117105921
2-(oxan-2-yl)-4-propan-2-ylpyridine
CID 166028714
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
CID 65328561
(4-chloro-6-methyl-2-pyridinyl)-cyclobutylmethanamine
CID 162341237

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine?
The IUPAC name of 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine (CID 162412127) is 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine.
What is the SMILES notation for 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine?
The canonical SMILES for 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine is Cc1cc(Cl)cc([C@@H]2CCCCO2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine?
The InChIKey is SYAPTBQLWITMLP-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-6-9(12)7-10(13-8)11-4-2-3-5-14-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1.
What are the key properties of 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine?
4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine has a molecular weight of 211.69 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine is sourced from PubChem (CID 162412127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).