1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine

C10H12ClN3 — CID 12575517

IUPAC1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cc(Cl)ncc12
InChIInChI=1S/C10H12ClN3/c1-14(2)6-7-4-12-9-3-10(11)13-5-8(7)9/h3-5,12H,6H2,1-2H3
InChIKeyQZMQKYPNAKNORK-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.28
Rot. Bonds2

About 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine

1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine (PubChem CID 12575517) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine
PubChem CID12575517
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cc(Cl)ncc12
InChIInChI=1S/C10H12ClN3/c1-14(2)6-7-4-12-9-3-10(11)13-5-8(7)9/h3-5,12H,6H2,1-2H3
InChIKeyQZMQKYPNAKNORK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine (CID 12575517) is 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2cc(Cl)ncc12.
What is the InChIKey of 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is QZMQKYPNAKNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-14(2)6-7-4-12-9-3-10(11)13-5-8(7)9/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine?
1-(6-chloro-1H-pyrrolo[3,2-c]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-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 12575517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).