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

C13H21NO — CID 66460886

IUPAC6-methyl-2-pyridin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)C(C)c1ccncc1
InChIInChI=1S/C13H21NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11,13,15H,4-5H2,1-3H3
InChIKeyKPXIRTBMBRQDNH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds5

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

6-methyl-2-pyridin-4-ylheptan-3-ol (PubChem CID 66460886) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methyl-2-pyridin-4-ylheptan-3-ol.

Molecular Properties

Compound Name6-methyl-2-pyridin-4-ylheptan-3-ol
PubChem CID66460886
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-methyl-2-pyridin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)C(C)c1ccncc1
InChIInChI=1S/C13H21NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11,13,15H,4-5H2,1-3H3
InChIKeyKPXIRTBMBRQDNH-UHFFFAOYSA-N
XLogP2.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
4-methyl-2-pyridin-4-ylhexan-3-ol
CID 66461088
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
4-(6-methylhept-1-en-3-yl)pyridine
CID 166775888
N,5-dimethyl-2-pyridin-4-ylhexan-3-amine
CID 66447939
6-methyl-2-pyridin-4-ylheptan-3-one
CID 66471839
4-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929850
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
4-[(2S)-pentan-2-yl]pyridine
CID 166675231

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-4-ylheptan-3-ol?
The IUPAC name of 6-methyl-2-pyridin-4-ylheptan-3-ol (CID 66460886) is 6-methyl-2-pyridin-4-ylheptan-3-ol.
What is the SMILES notation for 6-methyl-2-pyridin-4-ylheptan-3-ol?
The canonical SMILES for 6-methyl-2-pyridin-4-ylheptan-3-ol is CC(C)CCC(O)C(C)c1ccncc1.
What is the InChIKey of 6-methyl-2-pyridin-4-ylheptan-3-ol?
The InChIKey is KPXIRTBMBRQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)4-5-13(15)11(3)12-6-8-14-9-7-12/h6-11,13,15H,4-5H2,1-3H3.
What are the key properties of 6-methyl-2-pyridin-4-ylheptan-3-ol?
6-methyl-2-pyridin-4-ylheptan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-4-ylheptan-3-ol is sourced from PubChem (CID 66460886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).