5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid

C19H10ClF3N4O2 — CID 25060688

IUPAC5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C19H10ClF3N4O2/c20-12-5-10(18(28)29)8-25-16(12)9-1-3-14(24-7-9)17-26-13-4-2-11(19(21,22)23)6-15(13)27-17/h1-8H,(H,26,27)(H,28,29)
InChIKeySYSLTKULTRCFJY-UHFFFAOYSA-N
MW418.76 g/mol
LogP5.06
Rot. Bonds3

About 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid

5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 25060688) has the molecular formula C19H10ClF3N4O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID25060688
Molecular FormulaC19H10ClF3N4O2
Molecular Weight418.76 g/mol
Exact Mass418.04
IUPAC Name5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C19H10ClF3N4O2/c20-12-5-10(18(28)29)8-25-16(12)9-1-3-14(24-7-9)17-26-13-4-2-11(19(21,22)23)6-15(13)27-17/h1-8H,(H,26,27)(H,28,29)
InChIKeySYSLTKULTRCFJY-UHFFFAOYSA-N
XLogP5.06
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid (CID 25060688) is 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is SYSLTKULTRCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4O2/c20-12-5-10(18(28)29)8-25-16(12)9-1-3-14(24-7-9)17-26-13-4-2-11(19(21,22)23)6-15(13)27-17/h1-8H,(H,26,27)(H,28,29).
What are the key properties of 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 418.76 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 25060688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).