1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone

C10H12ClNO2 — CID 105117184

IUPAC1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClNO2/c1-7(2)14-6-10(13)8-3-4-12-5-9(8)11/h3-5,7H,6H2,1-2H3
InChIKeySCGAZKAPYLLJEA-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone

1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone (PubChem CID 105117184) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
PubChem CID105117184
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClNO2/c1-7(2)14-6-10(13)8-3-4-12-5-9(8)11/h3-5,7H,6H2,1-2H3
InChIKeySCGAZKAPYLLJEA-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965
methyl 3-chloropyridine-4-carboxylate
CID 15324397
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride
CID 175250868
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone (CID 105117184) is 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone?
The InChIKey is SCGAZKAPYLLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(2)14-6-10(13)8-3-4-12-5-9(8)11/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone?
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone has a molecular weight of 213.66 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105117184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).