(2-bromo-6-butyl-3-pyridinyl)methanol

C10H14BrNO — CID 119083951

IUPAC(2-bromo-6-butyl-3-pyridinyl)methanol
SMILESCCCCc1ccc(CO)c(Br)n1
InChIInChI=1S/C10H14BrNO/c1-2-3-4-9-6-5-8(7-13)10(11)12-9/h5-6,13H,2-4,7H2,1H3
InChIKeyXJNZGGIKCJHJHF-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.68
Rot. Bonds4

About (2-bromo-6-butyl-3-pyridinyl)methanol

(2-bromo-6-butyl-3-pyridinyl)methanol (PubChem CID 119083951) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2-bromo-6-butyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-butyl-3-pyridinyl)methanol
PubChem CID119083951
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2-bromo-6-butyl-3-pyridinyl)methanol
SMILESCCCCc1ccc(CO)c(Br)n1
InChIInChI=1S/C10H14BrNO/c1-2-3-4-9-6-5-8(7-13)10(11)12-9/h5-6,13H,2-4,7H2,1H3
InChIKeyXJNZGGIKCJHJHF-UHFFFAOYSA-N
XLogP2.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-6-chloro-3-pyridinyl)methanol
CID 70701000
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2,3-diethyl-6-pentylpyridine
CID 175318170
6,8-dibromo-2-butylquinoline
CID 11810047
4-(5-butyl-6-methyl-2-pyridinyl)butan-1-amine;ethane
CID 155709923
2,6-dipentylpyridine
CID 58097448
(4-butyl-3-pyridinyl)methanol
CID 173058896
(6-butyl-2-pyridinyl)methanamine
CID 67813294
(4-butyl-2-chlorophenyl)methanol
CID 22508825
2,6-didodecylpyridine
CID 90943274
5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
CID 58118801
2-butyl-1,6-naphthyridine
CID 23383449

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-butyl-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-6-butyl-3-pyridinyl)methanol (CID 119083951) is (2-bromo-6-butyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-6-butyl-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-6-butyl-3-pyridinyl)methanol is CCCCc1ccc(CO)c(Br)n1.
What is the InChIKey of (2-bromo-6-butyl-3-pyridinyl)methanol?
The InChIKey is XJNZGGIKCJHJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-3-4-9-6-5-8(7-13)10(11)12-9/h5-6,13H,2-4,7H2,1H3.
What are the key properties of (2-bromo-6-butyl-3-pyridinyl)methanol?
(2-bromo-6-butyl-3-pyridinyl)methanol has a molecular weight of 244.13 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-butyl-3-pyridinyl)methanol is sourced from PubChem (CID 119083951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).