6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine

C12H17ClN2O — CID 170037706

IUPAC6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCO[C@H]1CCN(Cc2ccc(Cl)nc2C)C1
InChIInChI=1S/C12H17ClN2O/c1-9-10(3-4-12(13)14-9)7-15-6-5-11(8-15)16-2/h3-4,11H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyOHOUFICVPQZVAD-NSHDSACASA-N
MW240.73 g/mol
LogP2.26
Rot. Bonds3

About 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine

6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine (PubChem CID 170037706) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
PubChem CID170037706
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCO[C@H]1CCN(Cc2ccc(Cl)nc2C)C1
InChIInChI=1S/C12H17ClN2O/c1-9-10(3-4-12(13)14-9)7-15-6-5-11(8-15)16-2/h3-4,11H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyOHOUFICVPQZVAD-NSHDSACASA-N
XLogP2.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
1-[(2-bromo-4-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647740
1-[(5-bromo-2-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647857
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
6-(1,3-dioxolan-2-yl)-5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 134305144
[5-fluoro-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 103537516
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
CID 118943873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine (CID 170037706) is 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine is CO[C@H]1CCN(Cc2ccc(Cl)nc2C)C1.
What is the InChIKey of 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine?
The InChIKey is OHOUFICVPQZVAD-NSHDSACASA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-10(3-4-12(13)14-9)7-15-6-5-11(8-15)16-2/h3-4,11H,5-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine?
6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine has a molecular weight of 240.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 170037706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).