1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

C16H16ClNO2 — CID 104770056

IUPAC1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(CC1CCOc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClNO2/c17-16-6-5-12(10-18-16)14(19)9-11-7-8-20-15-4-2-1-3-13(11)15/h1-6,10-11,14,19H,7-9H2
InChIKeyNMONIJUJUVPRDJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.72
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 104770056) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID104770056
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(CC1CCOc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClNO2/c17-16-6-5-12(10-18-16)14(19)9-11-7-8-20-15-4-2-1-3-13(11)15/h1-6,10-11,14,19H,7-9H2
InChIKeyNMONIJUJUVPRDJ-UHFFFAOYSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105253220
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(4-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104769293
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554040
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831962
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 104770056) is 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is OC(CC1CCOc2ccccc21)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is NMONIJUJUVPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-16-6-5-12(10-18-16)14(19)9-11-7-8-20-15-4-2-1-3-13(11)15/h1-6,10-11,14,19H,7-9H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 289.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 104770056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).