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

C8H7Cl2NO — CID 146273688

IUPAC1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Cl)nc1CCl
InChIInChI=1S/C8H7Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3H,4H2,1H3
InChIKeyFRIGBNHQCGNXRM-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.68
Rot. Bonds2

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

1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone (PubChem CID 146273688) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone
PubChem CID146273688
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Cl)nc1CCl
InChIInChI=1S/C8H7Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3H,4H2,1H3
InChIKeyFRIGBNHQCGNXRM-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.68
H-Bond Donors ≤ 50
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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Related Compounds

1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol
CID 146273664
1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
CID 119054405
tert-butyl 6-chloro-2-ethylpyridine-3-carboxylate
CID 166815331
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
N-butyl-6-chloro-2-ethyl-N-methylpyridine-3-carboxamide
CID 135294038
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230
2,6-dichloropyridine-3-carboxamide
CID 22142778
6-chloro-N-ethyl-2-methylpyridine-3-carboxamide
CID 130963544
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 130062824

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone (CID 146273688) is 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(Cl)nc1CCl.
What is the InChIKey of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone?
The InChIKey is FRIGBNHQCGNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-5(12)6-2-3-8(10)11-7(6)4-9/h2-3H,4H2,1H3.
What are the key properties of 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone?
1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone has a molecular weight of 204.06 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 146273688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).