1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine

C39H28BrCl3F3N9 — CID 160764368

IUPAC1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine
SMILESClc1nccc2[nH]ncc12.Fc1ccc(CBr)cc1.Fc1ccc(Cn2cc3c(Cl)nccc3n2)cc1.Fc1ccc(Cn2ncc3c(Cl)nccc32)cc1
InChIInChI=1S/2C13H9ClFN3.C7H6BrF.C6H4ClN3/c14-13-11-7-17-18(12(11)5-6-16-13)8-9-1-3-10(15)4-2-9;14-13-11-8-18(17-12(11)5-6-16-13)7-9-1-3-10(15)4-2-9;8-5-6-1-3-7(9)4-2-6;7-6-4-3-9-10-5(4)1-2-8-6/h1-7H,8H2;1-6,8H,7H2;1-4H,5H2;1-3H,(H,9,10)
InChIKeyRYMHYYOQJLNXCK-UHFFFAOYSA-N
MW865.97 g/mol
LogP10.88
Rot. Bonds5

About 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine

1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 160764368) has the molecular formula C39H28BrCl3F3N9 and a molecular weight of 865.97 g/mol. Its IUPAC name is 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine
PubChem CID160764368
Molecular FormulaC39H28BrCl3F3N9
Molecular Weight865.97 g/mol
Exact Mass863.07
IUPAC Name1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine
SMILESClc1nccc2[nH]ncc12.Fc1ccc(CBr)cc1.Fc1ccc(Cn2cc3c(Cl)nccc3n2)cc1.Fc1ccc(Cn2ncc3c(Cl)nccc32)cc1
InChIInChI=1S/2C13H9ClFN3.C7H6BrF.C6H4ClN3/c14-13-11-7-17-18(12(11)5-6-16-13)8-9-1-3-10(15)4-2-9;14-13-11-8-18(17-12(11)5-6-16-13)7-9-1-3-10(15)4-2-9;8-5-6-1-3-7(9)4-2-6;7-6-4-3-9-10-5(4)1-2-8-6/h1-7H,8H2;1-6,8H,7H2;1-4H,5H2;1-3H,(H,9,10)
InChIKeyRYMHYYOQJLNXCK-UHFFFAOYSA-N
XLogP10.88
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.97
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

4-chloro-2-(4-fluorophenyl)quinoline;2-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline;5-(trifluoromethyl)-1H-pyrazole;4-[3-(trifluoromethyl)pyrazol-1-yl]-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline
CID 157772624
3-bromo-2H-indazole;3-bromo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole;5-(chloromethyl)-2-(trifluoromethyl)pyridine;phenylboronic acid;3-phenyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazole
CID 161019117
1-(bromomethyl)-4-chlorobenzene;1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)indazole;2-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)indazole;5-(trifluoromethyl)-1H-indazole
CID 161718857
3-Bromo-6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
CID 70204522
5-(2-chloro-3-pyridinyl)-1H-indazole;5-(2-chloro-3-pyridinyl)-1-methylindazole
CID 117868316
6-chloro-3-(1-methylpyrazol-4-yl)-4-trityl-1H-pyrazolo[4,3-c]pyridine
CID 123816670
6-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine;6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 157405576
N-(3-chloro-4-pyridinyl)-3-methylindol-1-amine;3-ethenyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-(2-fluoro-4-pyridinyl)-2-methylindol-1-amine
CID 157478172
2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide;methane
CID 157834510
2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
CID 158722336
4-Chloro-2-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]indazole;7-fluoro-2-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]indazole;2-[4-(3-phenylpyrazol-1-yl)but-1-ynyl]pyridine
CID 158884534
1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine;4-chloro-1H-pyrrolo[3,2-c]pyridine
CID 160112653

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine (CID 160764368) is 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine is Clc1nccc2[nH]ncc12.Fc1ccc(CBr)cc1.Fc1ccc(Cn2cc3c(Cl)nccc3n2)cc1.Fc1ccc(Cn2ncc3c(Cl)nccc32)cc1.
What is the InChIKey of 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is RYMHYYOQJLNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9ClFN3.C7H6BrF.C6H4ClN3/c14-13-11-7-17-18(12(11)5-6-16-13)8-9-1-3-10(15)4-2-9;14-13-11-8-18(17-12(11)5-6-16-13)7-9-1-3-10(15)4-2-9;8-5-6-1-3-7(9)4-2-6;7-6-4-3-9-10-5(4)1-2-8-6/h1-7H,8H2;1-6,8H,7H2;1-4H,5H2;1-3H,(H,9,10).
What are the key properties of 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine?
1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 865.97 g/mol, XLogP of 10.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-fluorobenzene;4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 160764368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).