(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate

C19H16F2N2O3 — CID 165084433

IUPAC(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2[nH]1.OCc1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H8FNO2.C9H8FNO/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9;10-7-2-1-6-3-8(5-12)11-9(6)4-7/h2-5,12H,1H3;1-4,11-12H,5H2
InChIKeyVQNBPOOGHUTFFR-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.89
Rot. Bonds2

About (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate

(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate (PubChem CID 165084433) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
PubChem CID165084433
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2[nH]1.OCc1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H8FNO2.C9H8FNO/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9;10-7-2-1-6-3-8(5-12)11-9(6)4-7/h2-5,12H,1H3;1-4,11-12H,5H2
InChIKeyVQNBPOOGHUTFFR-UHFFFAOYSA-N
XLogP3.89
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 25148905
N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
CID 131008440
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025
(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56646815
methyl 6-(3-sulfanylprop-1-ynyl)-1H-indole-2-carboxylate
CID 169487509
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
CID 37411683
(6-methyl-1H-indol-2-yl)methanol
CID 71720977
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate?
The IUPAC name of (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate (CID 165084433) is (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate is COC(=O)c1cc2ccc(F)cc2[nH]1.OCc1cc2ccc(F)cc2[nH]1.
What is the InChIKey of (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate?
The InChIKey is VQNBPOOGHUTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2.C9H8FNO/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9;10-7-2-1-6-3-8(5-12)11-9(6)4-7/h2-5,12H,1H3;1-4,11-12H,5H2.
What are the key properties of (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate?
(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate has a molecular weight of 358.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 165084433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).