6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid

C18H17FN4O2 — CID 72871570

IUPAC6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1
InChIInChI=1S/C18H17FN4O2/c19-12-4-5-13-15(10-12)22-17(21-13)11-6-8-23(9-7-11)16-3-1-2-14(20-16)18(24)25/h1-5,10-11H,6-9H2,(H,21,22)(H,24,25)
InChIKeyHELTWPOZNDSVBR-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.18
Rot. Bonds3

About 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72871570) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72871570
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1
InChIInChI=1S/C18H17FN4O2/c19-12-4-5-13-15(10-12)22-17(21-13)11-6-8-23(9-7-11)16-3-1-2-14(20-16)18(24)25/h1-5,10-11H,6-9H2,(H,21,22)(H,24,25)
InChIKeyHELTWPOZNDSVBR-UHFFFAOYSA-N
XLogP3.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 72871570) is 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1.
What is the InChIKey of 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is HELTWPOZNDSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-12-4-5-13-15(10-12)22-17(21-13)11-6-8-23(9-7-11)16-3-1-2-14(20-16)18(24)25/h1-5,10-11H,6-9H2,(H,21,22)(H,24,25).
What are the key properties of 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72871570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).