[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol

C14H12BrN3O — CID 130231789

IUPAC[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cc(Br)c2cnn(-c3cccc(CO)n3)c2c1
InChIInChI=1S/C14H12BrN3O/c1-9-5-12(15)11-7-16-18(13(11)6-9)14-4-2-3-10(8-19)17-14/h2-7,19H,8H2,1H3
InChIKeyMETANIKLWHSOLF-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.98
Rot. Bonds2

About [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol

[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol (PubChem CID 130231789) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol
PubChem CID130231789
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cc(Br)c2cnn(-c3cccc(CO)n3)c2c1
InChIInChI=1S/C14H12BrN3O/c1-9-5-12(15)11-7-16-18(13(11)6-9)14-4-2-3-10(8-19)17-14/h2-7,19H,8H2,1H3
InChIKeyMETANIKLWHSOLF-UHFFFAOYSA-N
XLogP2.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol (CID 130231789) is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol is Cc1cc(Br)c2cnn(-c3cccc(CO)n3)c2c1.
What is the InChIKey of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is METANIKLWHSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-5-12(15)11-7-16-18(13(11)6-9)14-4-2-3-10(8-19)17-14/h2-7,19H,8H2,1H3.
What are the key properties of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol?
[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 318.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 130231789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).