(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone

C15H10ClFN2O — CID 103125118

IUPAC(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C15H10ClFN2O/c1-19-13-5-3-2-4-11(13)14(18-19)15(20)10-7-6-9(16)8-12(10)17/h2-8H,1H3
InChIKeyYOACPFYVBREKNP-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.60
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone

(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103125118) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
PubChem CID103125118
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C15H10ClFN2O/c1-19-13-5-3-2-4-11(13)14(18-19)15(20)10-7-6-9(16)8-12(10)17/h2-8H,1H3
InChIKeyYOACPFYVBREKNP-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
CID 103125146
4-tert-butyl-N-[4-chloro-2-(1-methylindazole-3-carbonyl)phenyl]benzenesulfinamide
CID 143141395
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103118370
N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103123877
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone (CID 103125118) is (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)c2ccc(Cl)cc2F)c2ccccc21.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is YOACPFYVBREKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-19-13-5-3-2-4-11(13)14(18-19)15(20)10-7-6-9(16)8-12(10)17/h2-8H,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 288.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103125118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).