[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C12H16Cl2N2O — CID 102778580

IUPAC[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2nc(Cl)ccc2Cl)C1CO
InChIInChI=1S/C12H16Cl2N2O/c1-8-4-5-16(11(8)7-17)6-10-9(13)2-3-12(14)15-10/h2-3,8,11,17H,4-7H2,1H3
InChIKeyIUAUFROJWQERIW-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.59
Rot. Bonds3

About [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778580) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778580
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2nc(Cl)ccc2Cl)C1CO
InChIInChI=1S/C12H16Cl2N2O/c1-8-4-5-16(11(8)7-17)6-10-9(13)2-3-12(14)15-10/h2-3,8,11,17H,4-7H2,1H3
InChIKeyIUAUFROJWQERIW-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
CID 62891492
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777868
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 63595615
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 113461629
1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885085

Frequently Asked Questions

What is the IUPAC name of [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102778580) is [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2nc(Cl)ccc2Cl)C1CO.
What is the InChIKey of [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is IUAUFROJWQERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8-4-5-16(11(8)7-17)6-10-9(13)2-3-12(14)15-10/h2-3,8,11,17H,4-7H2,1H3.
What are the key properties of [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 275.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).