4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one

C18H18Cl2N2O2 — CID 174358184

IUPAC4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one
SMILES[H]/N=C(/CC(C)(CCO)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(7-9-23,12-5-6-13(19)14(20)10-12)11-15(21)17(24)16-4-2-3-8-22-16/h2-6,8,10,21,23H,7,9,11H2,1H3/b21-15-
InChIKeyDCJJPBYHUDKXRO-QNGOZBTKSA-N
MW365.26 g/mol
LogP4.32
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one

4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one (PubChem CID 174358184) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one
PubChem CID174358184
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one
SMILES[H]/N=C(/CC(C)(CCO)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(7-9-23,12-5-6-13(19)14(20)10-12)11-15(21)17(24)16-4-2-3-8-22-16/h2-6,8,10,21,23H,7,9,11H2,1H3/b21-15-
InChIKeyDCJJPBYHUDKXRO-QNGOZBTKSA-N
XLogP4.32
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 57154824
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
ethane;pyridine-2-carbonyl chloride
CID 158598971
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one (CID 174358184) is 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one is [H]/N=C(/CC(C)(CCO)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one?
The InChIKey is DCJJPBYHUDKXRO-QNGOZBTKSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(7-9-23,12-5-6-13(19)14(20)10-12)11-15(21)17(24)16-4-2-3-8-22-16/h2-6,8,10,21,23H,7,9,11H2,1H3/b21-15-.
What are the key properties of 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one?
4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one has a molecular weight of 365.26 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-hydroxy-2-imino-4-methyl-1-pyridin-2-ylhexan-1-one is sourced from PubChem (CID 174358184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).