[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate

C19H14FNO3 — CID 90425809

IUPAC[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
SMILESCc1c(-c2ccc(-c3ccccc3)c(F)c2)ccnc1OC(=O)O
InChIInChI=1S/C19H14FNO3/c1-12-15(9-10-21-18(12)24-19(22)23)14-7-8-16(17(20)11-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)
InChIKeyACDLNBGBJLUTRW-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.92
Rot. Bonds3

About [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate

[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate (PubChem CID 90425809) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
PubChem CID90425809
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
SMILESCc1c(-c2ccc(-c3ccccc3)c(F)c2)ccnc1OC(=O)O
InChIInChI=1S/C19H14FNO3/c1-12-15(9-10-21-18(12)24-19(22)23)14-7-8-16(17(20)11-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)
InChIKeyACDLNBGBJLUTRW-UHFFFAOYSA-N
XLogP4.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate (CID 90425809) is [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate is Cc1c(-c2ccc(-c3ccccc3)c(F)c2)ccnc1OC(=O)O.
What is the InChIKey of [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The InChIKey is ACDLNBGBJLUTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-12-15(9-10-21-18(12)24-19(22)23)14-7-8-16(17(20)11-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23).
What are the key properties of [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
[4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate has a molecular weight of 323.32 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-phenylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 90425809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).