3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol

C10H14ClNO3 — CID 171862158

IUPAC3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol
SMILESCOc1cc(C)c(C(O)C(O)CCl)cn1
InChIInChI=1S/C10H14ClNO3/c1-6-3-9(15-2)12-5-7(6)10(14)8(13)4-11/h3,5,8,10,13-14H,4H2,1-2H3
InChIKeyXHECQEJCZQPOFL-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.03
Rot. Bonds4

About 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol

3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol (PubChem CID 171862158) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol
PubChem CID171862158
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol
SMILESCOc1cc(C)c(C(O)C(O)CCl)cn1
InChIInChI=1S/C10H14ClNO3/c1-6-3-9(15-2)12-5-7(6)10(14)8(13)4-11/h3,5,8,10,13-14H,4H2,1-2H3
InChIKeyXHECQEJCZQPOFL-UHFFFAOYSA-N
XLogP1.03
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
CID 124501692
(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
CID 55277607
3-chloro-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
CID 171863317
3-chloro-1-(2-methoxypyrimidin-5-yl)propane-1,2-diol
CID 171861723
1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55296912
3-chloro-1-(3,5-dimethoxyphenyl)propane-1,2-diol
CID 171862328
3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propane-1,2-diol
CID 171863279
3-chloro-1-(5-chloro-3-methyl-2-pyridinyl)propane-1,2-diol
CID 171861743
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
CID 171862381

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol (CID 171862158) is 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol is COc1cc(C)c(C(O)C(O)CCl)cn1.
What is the InChIKey of 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is XHECQEJCZQPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-6-3-9(15-2)12-5-7(6)10(14)8(13)4-11/h3,5,8,10,13-14H,4H2,1-2H3.
What are the key properties of 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol?
3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 231.68 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(6-methoxy-4-methyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).