2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid

C21H14ClF2N3O2 — CID 175398622

IUPAC2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(C(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C21H14ClF2N3O2/c22-14-17(25)16(24)19(12-7-6-11-8-9-26-18(11)15(12)23)27-20(14)13(21(28)29)10-4-2-1-3-5-10/h1-9,13,26H,(H2,25,27)(H,28,29)
InChIKeyPMTYREZPILONDO-UHFFFAOYSA-N
MW413.81 g/mol
LogP4.96
Rot. Bonds4

About 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid

2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid (PubChem CID 175398622) has the molecular formula C21H14ClF2N3O2 and a molecular weight of 413.81 g/mol. Its IUPAC name is 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid
PubChem CID175398622
Molecular FormulaC21H14ClF2N3O2
Molecular Weight413.81 g/mol
Exact Mass413.07
IUPAC Name2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(C(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C21H14ClF2N3O2/c22-14-17(25)16(24)19(12-7-6-11-8-9-26-18(11)15(12)23)27-20(14)13(21(28)29)10-4-2-1-3-5-10/h1-9,13,26H,(H2,25,27)(H,28,29)
InChIKeyPMTYREZPILONDO-UHFFFAOYSA-N
XLogP4.96
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.81
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
CID 153350025
sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
CID 175389232
benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 118940019
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
CID 126609387
4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropyridine-2-carboxylate
CID 57412075
4-amino-3-chloro-6-(2,2-difluoro-7-methyl-1,3-benzodioxol-4-yl)-5-fluoropyridine-2-carboxylic acid
CID 123689172
4-amino-3-chloro-6-(2,2-difluoro-7-iodo-1,3-benzodioxol-4-yl)-5-fluoropyridine-2-carboxylic acid
CID 90437812
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90441349

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid?
The IUPAC name of 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid (CID 175398622) is 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid?
The canonical SMILES for 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid is Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(C(=O)O)c2ccccc2)c1Cl.
What is the InChIKey of 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid?
The InChIKey is PMTYREZPILONDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O2/c22-14-17(25)16(24)19(12-7-6-11-8-9-26-18(11)15(12)23)27-20(14)13(21(28)29)10-4-2-1-3-5-10/h1-9,13,26H,(H2,25,27)(H,28,29).
What are the key properties of 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid?
2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid has a molecular weight of 413.81 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid is sourced from PubChem (CID 175398622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).