(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol

C13H11BrN2OS — CID 103129037

IUPAC(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
SMILESCn1nc(C(O)c2cscc2Br)c2ccccc21
InChIInChI=1S/C13H11BrN2OS/c1-16-11-5-3-2-4-8(11)12(15-16)13(17)9-6-18-7-10(9)14/h2-7,13,17H,1H3
InChIKeyPRUYNGKCRTUMBQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.48
Rot. Bonds2

About (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol

(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol (PubChem CID 103129037) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
PubChem CID103129037
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
SMILESCn1nc(C(O)c2cscc2Br)c2ccccc21
InChIInChI=1S/C13H11BrN2OS/c1-16-11-5-3-2-4-8(11)12(15-16)13(17)9-6-18-7-10(9)14/h2-7,13,17H,1H3
InChIKeyPRUYNGKCRTUMBQ-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
3-(difluoromethyl)-1-methylindazole
CID 153487584
[(3-bromofuran-2-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129682
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
[(4-bromo-1-methylpyrazol-5-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129989
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
CID 103129138
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol (CID 103129037) is (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol is Cn1nc(C(O)c2cscc2Br)c2ccccc21.
What is the InChIKey of (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol?
The InChIKey is PRUYNGKCRTUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-16-11-5-3-2-4-8(11)12(15-16)13(17)9-6-18-7-10(9)14/h2-7,13,17H,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol?
(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol has a molecular weight of 323.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol is sourced from PubChem (CID 103129037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).