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

C12H14ClN3 — CID 92852795

IUPAC4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c([C@@H]3CCCNC3)cc12
InChIInChI=1S/C12H14ClN3/c13-10-3-5-15-12-9(10)6-11(16-12)8-2-1-4-14-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,15,16)/t8-/m1/s1
InChIKeyFQCKNAAKOOSOMX-MRVPVSSYSA-N
MW235.72 g/mol
LogP2.68
Rot. Bonds1

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

4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92852795) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92852795
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c([C@@H]3CCCNC3)cc12
InChIInChI=1S/C12H14ClN3/c13-10-3-5-15-12-9(10)6-11(16-12)8-2-1-4-14-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,15,16)/t8-/m1/s1
InChIKeyFQCKNAAKOOSOMX-MRVPVSSYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-piperidin-3-yl-1H-indole
CID 82620573
N-benzyl-5-chloro-N-methyl-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 90412006
5-chloro-N-[(4-fluorophenyl)methyl]-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 90412742
7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
CID 67535322
2-(azepan-3-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90413024
N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
CID 25119215
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352618
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine
CID 170422562
4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352114
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92852795) is 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]c([C@@H]3CCCNC3)cc12.
What is the InChIKey of 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FQCKNAAKOOSOMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-10-3-5-15-12-9(10)6-11(16-12)8-2-1-4-14-7-8/h3,5-6,8,14H,1-2,4,7H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92852795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).