[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone

C17H17ClN2O3 — CID 137335621

IUPAC[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H17ClN2O3/c1-11-8-16(21)14(18)9-13(11)15-3-2-12(10-19-15)17(22)20-4-6-23-7-5-20/h2-3,8-10,21H,4-7H2,1H3
InChIKeyMMHNPTFBGCXGAL-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.89
Rot. Bonds2

About [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone

[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 137335621) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID137335621
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H17ClN2O3/c1-11-8-16(21)14(18)9-13(11)15-3-2-12(10-19-15)17(22)20-4-6-23-7-5-20/h2-3,8-10,21H,4-7H2,1H3
InChIKeyMMHNPTFBGCXGAL-UHFFFAOYSA-N
XLogP2.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
CID 137335517
2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
CID 137335375
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 94797380
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[6-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95229420
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone (CID 137335621) is [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone is Cc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MMHNPTFBGCXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-8-16(21)14(18)9-13(11)15-3-2-12(10-19-15)17(22)20-4-6-23-7-5-20/h2-3,8-10,21H,4-7H2,1H3.
What are the key properties of [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone?
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 332.79 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137335621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).