N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

C12H13BrF2N4 — CID 107494004

IUPACN'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H13BrF2N4/c13-8-5-9-12(18-6-8)10(1-3-17-9)19(4-2-16)7-11(14)15/h1,3,5-6,11H,2,4,7,16H2
InChIKeyIVQMIQNSDMZVJZ-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.42
Rot. Bonds5

About N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 107494004) has the molecular formula C12H13BrF2N4 and a molecular weight of 331.16 g/mol. Its IUPAC name is N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID107494004
Molecular FormulaC12H13BrF2N4
Molecular Weight331.16 g/mol
Exact Mass330.03
IUPAC NameN'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H13BrF2N4/c13-8-5-9-12(18-6-8)10(1-3-17-9)19(4-2-16)7-11(14)15/h1,3,5-6,11H,2,4,7,16H2
InChIKeyIVQMIQNSDMZVJZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (CID 107494004) is N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is NCCN(CC(F)F)c1ccnc2cc(Br)cnc12.
What is the InChIKey of N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is IVQMIQNSDMZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4/c13-8-5-9-12(18-6-8)10(1-3-17-9)19(4-2-16)7-11(14)15/h1,3,5-6,11H,2,4,7,16H2.
What are the key properties of N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 331.16 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).