(4-butan-2-yl-2-pyridinyl)methanol

C10H15NO — CID 155375839

IUPAC(4-butan-2-yl-2-pyridinyl)methanol
SMILESCCC(C)c1ccnc(CO)c1
InChIInChI=1S/C10H15NO/c1-3-8(2)9-4-5-11-10(6-9)7-12/h4-6,8,12H,3,7H2,1-2H3
InChIKeyVFTLIXHDXMHSGQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds3

About (4-butan-2-yl-2-pyridinyl)methanol

(4-butan-2-yl-2-pyridinyl)methanol (PubChem CID 155375839) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4-butan-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-butan-2-yl-2-pyridinyl)methanol
PubChem CID155375839
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4-butan-2-yl-2-pyridinyl)methanol
SMILESCCC(C)c1ccnc(CO)c1
InChIInChI=1S/C10H15NO/c1-3-8(2)9-4-5-11-10(6-9)7-12/h4-6,8,12H,3,7H2,1-2H3
InChIKeyVFTLIXHDXMHSGQ-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yl-2-pyridinyl)methanol?
The IUPAC name of (4-butan-2-yl-2-pyridinyl)methanol (CID 155375839) is (4-butan-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for (4-butan-2-yl-2-pyridinyl)methanol?
The canonical SMILES for (4-butan-2-yl-2-pyridinyl)methanol is CCC(C)c1ccnc(CO)c1.
What is the InChIKey of (4-butan-2-yl-2-pyridinyl)methanol?
The InChIKey is VFTLIXHDXMHSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8(2)9-4-5-11-10(6-9)7-12/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of (4-butan-2-yl-2-pyridinyl)methanol?
(4-butan-2-yl-2-pyridinyl)methanol has a molecular weight of 165.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 155375839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).