5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride

C12H16Cl2FN3 — CID 162748849

IUPAC5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
SMILESCl.Cl.Fc1cnc2[nH]ccc2c1C1CCNCC1
InChIInChI=1S/C12H14FN3.2ClH/c13-10-7-16-12-9(3-6-15-12)11(10)8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H
InChIKeyVIRSCTDSXNWNKX-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.01
Rot. Bonds1

About 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride

5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride (PubChem CID 162748849) has the molecular formula C12H16Cl2FN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
PubChem CID162748849
Molecular FormulaC12H16Cl2FN3
Molecular Weight292.18 g/mol
Exact Mass291.07
IUPAC Name5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
SMILESCl.Cl.Fc1cnc2[nH]ccc2c1C1CCNCC1
InChIInChI=1S/C12H14FN3.2ClH/c13-10-7-16-12-9(3-6-15-12)11(10)8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H
InChIKeyVIRSCTDSXNWNKX-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-pyridinyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748954
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 162748993
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749049
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 162749159
(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 162749013
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 162748956
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
CID 149314243
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449646
5-fluoro-4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67329570
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride?
The IUPAC name of 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride (CID 162748849) is 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride.
What is the SMILES notation for 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride?
The canonical SMILES for 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride is Cl.Cl.Fc1cnc2[nH]ccc2c1C1CCNCC1.
What is the InChIKey of 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride?
The InChIKey is VIRSCTDSXNWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.2ClH/c13-10-7-16-12-9(3-6-15-12)11(10)8-1-4-14-5-2-8;;/h3,6-8,14H,1-2,4-5H2,(H,15,16);2*1H.
What are the key properties of 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride?
5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride has a molecular weight of 292.18 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride is sourced from PubChem (CID 162748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).