4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid

C18H14FN3O2 — CID 70217270

IUPAC4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid
SMILESCc1nccc(-c2ccc(C(=O)O)c(F)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C18H14FN3O2/c1-10-17(12-3-5-16(20)22-9-12)13(6-7-21-10)11-2-4-14(18(23)24)15(19)8-11/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyDKWQKIIUVGQLEG-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.54
Rot. Bonds3

About 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid

4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid (PubChem CID 70217270) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid
PubChem CID70217270
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid
SMILESCc1nccc(-c2ccc(C(=O)O)c(F)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C18H14FN3O2/c1-10-17(12-3-5-16(20)22-9-12)13(6-7-21-10)11-2-4-14(18(23)24)15(19)8-11/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyDKWQKIIUVGQLEG-UHFFFAOYSA-N
XLogP3.54
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid?
The IUPAC name of 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid (CID 70217270) is 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid is Cc1nccc(-c2ccc(C(=O)O)c(F)c2)c1-c1ccc(N)nc1.
What is the InChIKey of 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid?
The InChIKey is DKWQKIIUVGQLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-17(12-3-5-16(20)22-9-12)13(6-7-21-10)11-2-4-14(18(23)24)15(19)8-11/h2-9H,1H3,(H2,20,22)(H,23,24).
What are the key properties of 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid?
4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid has a molecular weight of 323.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-amino-3-pyridinyl)-2-methyl-4-pyridinyl]-2-fluorobenzoic acid is sourced from PubChem (CID 70217270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).