1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine

C10H12ClN3 — CID 58364964

IUPAC1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyGFOOQXSCKVFZGR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine

1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine (PubChem CID 58364964) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
PubChem CID58364964
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyGFOOQXSCKVFZGR-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine (CID 58364964) is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is GFOOQXSCKVFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 209.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 58364964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).