4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane

C16H14ClF2N3O2 — CID 153350025

IUPAC4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
SMILESCC.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2.C2H6/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-2/h1-4,19H,(H2,18,20)(H,21,22);1-2H3
InChIKeyNJFBWGKYSVPLES-UHFFFAOYSA-N
MW353.76 g/mol
LogP4.47
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane

4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane (PubChem CID 153350025) has the molecular formula C16H14ClF2N3O2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
PubChem CID153350025
Molecular FormulaC16H14ClF2N3O2
Molecular Weight353.76 g/mol
Exact Mass353.07
IUPAC Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
SMILESCC.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2.C2H6/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-2/h1-4,19H,(H2,18,20)(H,21,22);1-2H3
InChIKeyNJFBWGKYSVPLES-UHFFFAOYSA-N
XLogP4.47
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]-2-phenylacetic acid
CID 175398622
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-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90441349
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-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 90409966
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-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane (CID 153350025) is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane is CC.Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane?
The InChIKey is NJFBWGKYSVPLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2.C2H6/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16;1-2/h1-4,19H,(H2,18,20)(H,21,22);1-2H3.
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane?
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane has a molecular weight of 353.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 153350025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).