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

C14H9ClF2N3NaO2 — CID 175389232

IUPACsodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.[H-].[Na+]
InChIInChI=1S/C14H8ClF2N3O2.Na.H/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;;/h1-4,19H,(H2,18,20)(H,21,22);;/q;+1;-1
InChIKeyAOASNSFVJHYNMO-UHFFFAOYSA-N
MW347.68 g/mol
LogP0.56
Rot. Bonds2

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

sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride (PubChem CID 175389232) has the molecular formula C14H9ClF2N3NaO2 and a molecular weight of 347.68 g/mol. Its IUPAC name is sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
PubChem CID175389232
Molecular FormulaC14H9ClF2N3NaO2
Molecular Weight347.68 g/mol
Exact Mass347.02
IUPAC Namesodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.[H-].[Na+]
InChIInChI=1S/C14H8ClF2N3O2.Na.H/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;;/h1-4,19H,(H2,18,20)(H,21,22);;/q;+1;-1
InChIKeyAOASNSFVJHYNMO-UHFFFAOYSA-N
XLogP0.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride?
The IUPAC name of sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride (CID 175389232) is sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride.
What is the SMILES notation for sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride?
The canonical SMILES for sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride is Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.[H-].[Na+].
What is the InChIKey of sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride?
The InChIKey is AOASNSFVJHYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2.Na.H/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;;/h1-4,19H,(H2,18,20)(H,21,22);;/q;+1;-1.
What are the key properties of sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride?
sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride has a molecular weight of 347.68 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride is sourced from PubChem (CID 175389232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).