2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate

C13H11FN4O — CID 162328414

IUPAC2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate
SMILESFc1cc(-c2[nH]cnc2-c2cccnc2)ccn1.O
InChIInChI=1S/C13H9FN4.H2O/c14-11-6-9(3-5-16-11)12-13(18-8-17-12)10-2-1-4-15-7-10;/h1-8H,(H,17,18);1H2
InChIKeyAHMOSHHGZDICAK-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.85
Rot. Bonds2

About 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate

2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate (PubChem CID 162328414) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate.

Molecular Properties

Compound Name2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate
PubChem CID162328414
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate
SMILESFc1cc(-c2[nH]cnc2-c2cccnc2)ccn1.O
InChIInChI=1S/C13H9FN4.H2O/c14-11-6-9(3-5-16-11)12-13(18-8-17-12)10-2-1-4-15-7-10;/h1-8H,(H,17,18);1H2
InChIKeyAHMOSHHGZDICAK-UHFFFAOYSA-N
XLogP1.85
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
5-fluoro-2,3-dipyridin-3-ylpyridine
CID 46316529
3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine
CID 130279443
5-fluoro-3-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 165444709
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513798
6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole
CID 122510621
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
5-propan-2-yl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513819
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
CID 122510894
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate?
The IUPAC name of 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate (CID 162328414) is 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate.
What is the SMILES notation for 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate?
The canonical SMILES for 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate is Fc1cc(-c2[nH]cnc2-c2cccnc2)ccn1.O.
What is the InChIKey of 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate?
The InChIKey is AHMOSHHGZDICAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4.H2O/c14-11-6-9(3-5-16-11)12-13(18-8-17-12)10-2-1-4-15-7-10;/h1-8H,(H,17,18);1H2.
What are the key properties of 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate?
2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate has a molecular weight of 258.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-pyridin-3-yl-1H-imidazol-5-yl)pyridine;hydrate is sourced from PubChem (CID 162328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).