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

C14H9ClFN3O2 — CID 90450979

IUPAC4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3[nH]ccc3c2)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H9ClFN3O2/c15-9-11(17)10(16)12(19-13(9)14(20)21)7-1-2-8-6(5-7)3-4-18-8/h1-5,18H,(H2,17,19)(H,20,21)
InChIKeyZPWYIVKWVDCVFQ-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.30
Rot. Bonds2

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

4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid (PubChem CID 90450979) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid
PubChem CID90450979
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3[nH]ccc3c2)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H9ClFN3O2/c15-9-11(17)10(16)12(19-13(9)14(20)21)7-1-2-8-6(5-7)3-4-18-8/h1-5,18H,(H2,17,19)(H,20,21)
InChIKeyZPWYIVKWVDCVFQ-UHFFFAOYSA-N
XLogP3.30
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-carboxy-2-pyridin-3-ylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
CID 10045107
1-[(4-chloro-3-quinolyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58241015
1-[(2-chloro-5-fluoro-3-pyridyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 72723787
1-[(6-chloro-3-pyridyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 72723788
2-(1H-indol-5-yl)pyridine-4-carboxylic acid
CID 137662000
4-(3-chloro-4-fluoroanilino)-6-(ethylamino)-1H-indole-2-carboxylic acid
CID 162660705
US10174026, Example 112
CID 117637289
US10174026, Example 114
CID 117637337
6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 37818974
3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
CID 164627496
7-chloro-3-methyl-1H-pyrrolo(3,2-c)quinoline-4-carboxylic acid
CID 9881645
3-chloro-1H-indole-5-carboxylic acid
CID 21998723

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid (CID 90450979) is 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc3[nH]ccc3c2)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is ZPWYIVKWVDCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c15-9-11(17)10(16)12(19-13(9)14(20)21)7-1-2-8-6(5-7)3-4-18-8/h1-5,18H,(H2,17,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-(1H-indol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 305.70 g/mol, XLogP of 3.30, 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-(1H-indol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90450979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).