(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine

C9H10ClN3 — CID 131183370

IUPAC(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
SMILESC[C@@H](N)c1c(Cl)cnc2[nH]ccc12
InChIInChI=1S/C9H10ClN3/c1-5(11)8-6-2-3-12-9(6)13-4-7(8)10/h2-5H,11H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyOVRLHPGESMFEPD-RXMQYKEDSA-N
MW195.65 g/mol
LogP2.24
Rot. Bonds1

About (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine

(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine (PubChem CID 131183370) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
PubChem CID131183370
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
SMILESC[C@@H](N)c1c(Cl)cnc2[nH]ccc12
InChIInChI=1S/C9H10ClN3/c1-5(11)8-6-2-3-12-9(6)13-4-7(8)10/h2-5H,11H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyOVRLHPGESMFEPD-RXMQYKEDSA-N
XLogP2.24
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434
(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol
CID 58010144
5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123135391
4-propan-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123796055
5-chloro-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58896982
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
1-[1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)cyclobutyl]ethanone
CID 162189187
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026
4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 58691728
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine?
The IUPAC name of (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine (CID 131183370) is (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine is C[C@@H](N)c1c(Cl)cnc2[nH]ccc12.
What is the InChIKey of (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine?
The InChIKey is OVRLHPGESMFEPD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-5(11)8-6-2-3-12-9(6)13-4-7(8)10/h2-5H,11H2,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine?
(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine has a molecular weight of 195.65 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine is sourced from PubChem (CID 131183370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).