[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol

C12H16Cl2N2O2 — CID 81219058

IUPAC[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)c(CN2CCOC(CO)C2)c(Cl)n1
InChIInChI=1S/C12H16Cl2N2O2/c1-8-4-11(13)10(12(14)15-8)6-16-2-3-18-9(5-16)7-17/h4,9,17H,2-3,5-7H2,1H3
InChIKeyYVFDVZCCHRSLIG-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.89
Rot. Bonds3

About [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol

[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol (PubChem CID 81219058) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol
PubChem CID81219058
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)c(CN2CCOC(CO)C2)c(Cl)n1
InChIInChI=1S/C12H16Cl2N2O2/c1-8-4-11(13)10(12(14)15-8)6-16-2-3-18-9(5-16)7-17/h4,9,17H,2-3,5-7H2,1H3
InChIKeyYVFDVZCCHRSLIG-UHFFFAOYSA-N
XLogP1.89
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 81219626
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
[4-[(5-methyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]methanol
CID 115772870
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 79833026
[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
CID 99853569

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol (CID 81219058) is [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol is Cc1cc(Cl)c(CN2CCOC(CO)C2)c(Cl)n1.
What is the InChIKey of [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol?
The InChIKey is YVFDVZCCHRSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8-4-11(13)10(12(14)15-8)6-16-2-3-18-9(5-16)7-17/h4,9,17H,2-3,5-7H2,1H3.
What are the key properties of [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol?
[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol has a molecular weight of 291.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81219058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).