6-methyl-2-pyridin-4-ylheptan-3-one

C13H19NO — CID 66471839

IUPAC6-methyl-2-pyridin-4-ylheptan-3-one
SMILESCC(C)CCC(=O)C(C)c1ccncc1
InChIInChI=1S/C13H19NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyOUIJGUOTYQHHFS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.19
Rot. Bonds5

About 6-methyl-2-pyridin-4-ylheptan-3-one

6-methyl-2-pyridin-4-ylheptan-3-one (PubChem CID 66471839) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-methyl-2-pyridin-4-ylheptan-3-one.

Molecular Properties

Compound Name6-methyl-2-pyridin-4-ylheptan-3-one
PubChem CID66471839
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-methyl-2-pyridin-4-ylheptan-3-one
SMILESCC(C)CCC(=O)C(C)c1ccncc1
InChIInChI=1S/C13H19NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyOUIJGUOTYQHHFS-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
7-methyl-1-pyridin-4-yloctan-2-one
CID 160568287
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
N-(amino-oxo-pyridin-4-yl-λ6-sulfanylidene)-4-methylpentanamide
CID 156531120
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
3-methylbutyl pyridine-4-carboxylate
CID 12509138
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
2-pyridin-4-ylpropanedithioic acid
CID 150260609
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
1,1-dipyridin-4-ylhexadecan-2-one
CID 69340505
4-(6-methylhept-1-en-3-yl)pyridine
CID 166775888

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-4-ylheptan-3-one?
The IUPAC name of 6-methyl-2-pyridin-4-ylheptan-3-one (CID 66471839) is 6-methyl-2-pyridin-4-ylheptan-3-one.
What is the SMILES notation for 6-methyl-2-pyridin-4-ylheptan-3-one?
The canonical SMILES for 6-methyl-2-pyridin-4-ylheptan-3-one is CC(C)CCC(=O)C(C)c1ccncc1.
What is the InChIKey of 6-methyl-2-pyridin-4-ylheptan-3-one?
The InChIKey is OUIJGUOTYQHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 6-methyl-2-pyridin-4-ylheptan-3-one?
6-methyl-2-pyridin-4-ylheptan-3-one has a molecular weight of 205.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-4-ylheptan-3-one is sourced from PubChem (CID 66471839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).