4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C13H16ClN3 — CID 170352618

IUPAC4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(CC3CCCCN3)cc12
InChIInChI=1S/C13H16ClN3/c14-12-4-6-16-13-11(12)8-10(17-13)7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17)
InChIKeyGOUSOBAJRRAUJC-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.90
Rot. Bonds2

About 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170352618) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170352618
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(CC3CCCCN3)cc12
InChIInChI=1S/C13H16ClN3/c14-12-4-6-16-13-11(12)8-10(17-13)7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17)
InChIKeyGOUSOBAJRRAUJC-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352114
6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 57340744
2-(1H-pyrazol-5-ylmethyl)piperidine
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2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
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CID 106633086
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
2-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
CID 117393114
2-[(3-chlorophenyl)methyl]azepane
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4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 170352618) is 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]c(CC3CCCCN3)cc12.
What is the InChIKey of 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GOUSOBAJRRAUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-12-4-6-16-13-11(12)8-10(17-13)7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17).
What are the key properties of 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 249.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170352618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).