4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid

C14H10ClN3O2 — CID 56911743

IUPAC4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
SMILESNc1cc(-c2ccc(C(=O)O)c(Cl)c2)c2cc[nH]c2n1
InChIInChI=1S/C14H10ClN3O2/c15-11-5-7(1-2-9(11)14(19)20)10-6-12(16)18-13-8(10)3-4-17-13/h1-6H,(H,19,20)(H3,16,17,18)
InChIKeyQZLYTBMXJALXIE-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.16
Rot. Bonds2

About 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid

4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid (PubChem CID 56911743) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
PubChem CID56911743
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid
SMILESNc1cc(-c2ccc(C(=O)O)c(Cl)c2)c2cc[nH]c2n1
InChIInChI=1S/C14H10ClN3O2/c15-11-5-7(1-2-9(11)14(19)20)10-6-12(16)18-13-8(10)3-4-17-13/h1-6H,(H,19,20)(H3,16,17,18)
InChIKeyQZLYTBMXJALXIE-UHFFFAOYSA-N
XLogP3.16
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
3-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylpropanoic acid
CID 56885625
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56873902
6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 56883124
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 133087909
2-chloro-4-phenylbenzoic acid
CID 21487426
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide
CID 56908693
4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896860
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid?
The IUPAC name of 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid (CID 56911743) is 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid.
What is the SMILES notation for 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid?
The canonical SMILES for 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid is Nc1cc(-c2ccc(C(=O)O)c(Cl)c2)c2cc[nH]c2n1.
What is the InChIKey of 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid?
The InChIKey is QZLYTBMXJALXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-5-7(1-2-9(11)14(19)20)10-6-12(16)18-13-8(10)3-4-17-13/h1-6H,(H,19,20)(H3,16,17,18).
What are the key properties of 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid?
4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid has a molecular weight of 287.71 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-chlorobenzoic acid is sourced from PubChem (CID 56911743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).