N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine

C13H11ClN4 — CID 170450219

IUPACN-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cnc(Nc2ccc(Cl)nc2)c2[nH]ccc12
InChIInChI=1S/C13H11ClN4/c1-8-6-17-13(12-10(8)4-5-15-12)18-9-2-3-11(14)16-7-9/h2-7,15H,1H3,(H,17,18)
InChIKeyYRPRKKIJGWIAMD-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.66
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine

N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 170450219) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine
PubChem CID170450219
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cnc(Nc2ccc(Cl)nc2)c2[nH]ccc12
InChIInChI=1S/C13H11ClN4/c1-8-6-17-13(12-10(8)4-5-15-12)18-9-2-3-11(14)16-7-9/h2-7,15H,1H3,(H,17,18)
InChIKeyYRPRKKIJGWIAMD-UHFFFAOYSA-N
XLogP3.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine (CID 170450219) is N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine is Cc1cnc(Nc2ccc(Cl)nc2)c2[nH]ccc12.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is YRPRKKIJGWIAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-6-17-13(12-10(8)4-5-15-12)18-9-2-3-11(14)16-7-9/h2-7,15H,1H3,(H,17,18).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 258.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 170450219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).