4-(5-methyl-3-pyridinyl)heptan-4-ol

C13H21NO — CID 114866004

IUPAC4-(5-methyl-3-pyridinyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cncc(C)c1
InChIInChI=1S/C13H21NO/c1-4-6-13(15,7-5-2)12-8-11(3)9-14-10-12/h8-10,15H,4-7H2,1-3H3
InChIKeySDNBXGKADGVCTM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.18
Rot. Bonds5

About 4-(5-methyl-3-pyridinyl)heptan-4-ol

4-(5-methyl-3-pyridinyl)heptan-4-ol (PubChem CID 114866004) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)heptan-4-ol.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)heptan-4-ol
PubChem CID114866004
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(5-methyl-3-pyridinyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cncc(C)c1
InChIInChI=1S/C13H21NO/c1-4-6-13(15,7-5-2)12-8-11(3)9-14-10-12/h8-10,15H,4-7H2,1-3H3
InChIKeySDNBXGKADGVCTM-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(3-methylhexan-3-yl)pyridine
CID 126590839
1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115373723
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
CID 123237942
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
CID 115375573
di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 112743475
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580
2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
CID 103446963
4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
CID 115375350
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)heptan-4-ol?
The IUPAC name of 4-(5-methyl-3-pyridinyl)heptan-4-ol (CID 114866004) is 4-(5-methyl-3-pyridinyl)heptan-4-ol.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)heptan-4-ol?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)heptan-4-ol is CCCC(O)(CCC)c1cncc(C)c1.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)heptan-4-ol?
The InChIKey is SDNBXGKADGVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-13(15,7-5-2)12-8-11(3)9-14-10-12/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 4-(5-methyl-3-pyridinyl)heptan-4-ol?
4-(5-methyl-3-pyridinyl)heptan-4-ol has a molecular weight of 207.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)heptan-4-ol is sourced from PubChem (CID 114866004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).