1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one

C10H12ClNO — CID 112713085

IUPAC1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one
SMILESCc1c(Cl)cncc1C(=O)C(C)C
InChIInChI=1S/C10H12ClNO/c1-6(2)10(13)8-4-12-5-9(11)7(8)3/h4-6H,1-3H3
InChIKeyMTTRWCRJFFNKPF-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.88
Rot. Bonds2

About 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one

1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one (PubChem CID 112713085) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one
PubChem CID112713085
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one
SMILESCc1c(Cl)cncc1C(=O)C(C)C
InChIInChI=1S/C10H12ClNO/c1-6(2)10(13)8-4-12-5-9(11)7(8)3/h4-6H,1-3H3
InChIKeyMTTRWCRJFFNKPF-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(3,5-dichloro-4-pyridinyl)pentan-3-one
CID 154128737
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
1-(2-chloro-4-hydroxy-5-methylphenyl)-2-methylpropan-1-one
CID 121321009
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
CID 156538639
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
4,5-dichloro-N-methylpyridine-3-carboxamide
CID 129011418
1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
CID 59682183
2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
CID 83876708
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one (CID 112713085) is 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one is Cc1c(Cl)cncc1C(=O)C(C)C.
What is the InChIKey of 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one?
The InChIKey is MTTRWCRJFFNKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6(2)10(13)8-4-12-5-9(11)7(8)3/h4-6H,1-3H3.
What are the key properties of 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one?
1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one has a molecular weight of 197.66 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 112713085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).