1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol

C8H9Cl2NO — CID 146273664

IUPAC1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Cl)nc1CCl
InChIInChI=1S/C8H9Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3,5,12H,4H2,1H3
InChIKeyKPEXMNZAKXHWAB-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.53
Rot. Bonds2

About 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol

1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol (PubChem CID 146273664) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol
PubChem CID146273664
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Cl)nc1CCl
InChIInChI=1S/C8H9Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3,5,12H,4H2,1H3
InChIKeyKPEXMNZAKXHWAB-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol (CID 146273664) is 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol is CC(O)c1ccc(Cl)nc1CCl.
What is the InChIKey of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol?
The InChIKey is KPEXMNZAKXHWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3,5,12H,4H2,1H3.
What are the key properties of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol?
1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol has a molecular weight of 206.07 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 146273664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).