(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone

C16H13FN2O2 — CID 103125146

IUPAC(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
SMILESCOc1cccc(C(=O)c2nn(C)c3ccccc23)c1F
InChIInChI=1S/C16H13FN2O2/c1-19-12-8-4-3-6-10(12)15(18-19)16(20)11-7-5-9-13(21-2)14(11)17/h3-9H,1-2H3
InChIKeyGIWSVPNDEXSLGE-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.95
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone

(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103125146) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
PubChem CID103125146
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
SMILESCOc1cccc(C(=O)c2nn(C)c3ccccc23)c1F
InChIInChI=1S/C16H13FN2O2/c1-19-12-8-4-3-6-10(12)15(18-19)16(20)11-7-5-9-13(21-2)14(11)17/h3-9H,1-2H3
InChIKeyGIWSVPNDEXSLGE-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103125118
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
CID 103125238
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82807772
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
(2-fluoro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methanone
CID 105123706
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone (CID 103125146) is (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone is COc1cccc(C(=O)c2nn(C)c3ccccc23)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is GIWSVPNDEXSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19-12-8-4-3-6-10(12)15(18-19)16(20)11-7-5-9-13(21-2)14(11)17/h3-9H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone?
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 284.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103125146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).