6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

C14H8ClF2N3O2 — CID 90417981

IUPAC6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2cccc(C(=O)O)n2)c(F)c2[nH]cc(Cl)c12
InChIInChI=1S/C14H8ClF2N3O2/c15-5-4-19-13-8(5)12(18)10(16)9(11(13)17)6-2-1-3-7(20-6)14(21)22/h1-4,19H,18H2,(H,21,22)
InChIKeyFFEVQBVYLDIEJA-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.44
Rot. Bonds2

About 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (PubChem CID 90417981) has the molecular formula C14H8ClF2N3O2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
PubChem CID90417981
Molecular FormulaC14H8ClF2N3O2
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC Name6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2cccc(C(=O)O)n2)c(F)c2[nH]cc(Cl)c12
InChIInChI=1S/C14H8ClF2N3O2/c15-5-4-19-13-8(5)12(18)10(16)9(11(13)17)6-2-1-3-7(20-6)14(21)22/h1-4,19H,18H2,(H,21,22)
InChIKeyFFEVQBVYLDIEJA-UHFFFAOYSA-N
XLogP3.44
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (CID 90417981) is 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is Nc1c(F)c(-c2cccc(C(=O)O)n2)c(F)c2[nH]cc(Cl)c12.
What is the InChIKey of 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The InChIKey is FFEVQBVYLDIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2/c15-5-4-19-13-8(5)12(18)10(16)9(11(13)17)6-2-1-3-7(20-6)14(21)22/h1-4,19H,18H2,(H,21,22).
What are the key properties of 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid has a molecular weight of 323.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-chloro-5,7-difluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90417981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).