1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

C10H11F2N3 — CID 66411193

IUPAC1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(C(F)F)c2ncccc12
InChIInChI=1S/C10H11F2N3/c1-13-5-7-6-15(10(11)12)9-8(7)3-2-4-14-9/h2-4,6,10,13H,5H2,1H3
InChIKeyNXOOTQCIBUCIJV-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.15
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (PubChem CID 66411193) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
PubChem CID66411193
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(C(F)F)c2ncccc12
InChIInChI=1S/C10H11F2N3/c1-13-5-7-6-15(10(11)12)9-8(7)3-2-4-14-9/h2-4,6,10,13H,5H2,1H3
InChIKeyNXOOTQCIBUCIJV-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (CID 66411193) is 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is CNCc1cn(C(F)F)c2ncccc12.
What is the InChIKey of 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is NXOOTQCIBUCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-13-5-7-6-15(10(11)12)9-8(7)3-2-4-14-9/h2-4,6,10,13H,5H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 211.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66411193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).