[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol

C12H15ClN2O — CID 114412403

IUPAC[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
SMILESCC1=CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C12H15ClN2O/c1-9-4-6-15(7-5-9)12-3-2-10(13)11(8-16)14-12/h2-4,16H,5-8H2,1H3
InChIKeyWVNAHIMYHJNPGY-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.38
Rot. Bonds2

About [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol

[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol (PubChem CID 114412403) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
PubChem CID114412403
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
SMILESCC1=CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C12H15ClN2O/c1-9-4-6-15(7-5-9)12-3-2-10(13)11(8-16)14-12/h2-4,16H,5-8H2,1H3
InChIKeyWVNAHIMYHJNPGY-UHFFFAOYSA-N
XLogP2.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol (CID 114412403) is [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol is CC1=CCN(c2ccc(Cl)c(CO)n2)CC1.
What is the InChIKey of [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol?
The InChIKey is WVNAHIMYHJNPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-4-6-15(7-5-9)12-3-2-10(13)11(8-16)14-12/h2-4,16H,5-8H2,1H3.
What are the key properties of [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol?
[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol has a molecular weight of 238.72 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 114412403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).