[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

C14H12BrF2N3O2 — CID 90280116

IUPAC[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESNc1cnc(C(CNC(=O)O)c2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrF2N3O2/c15-12-4-10(18)5-19-13(12)11(6-20-14(21)22)7-1-8(16)3-9(17)2-7/h1-5,11,20H,6,18H2,(H,21,22)
InChIKeyFPFNTXJFWMXJLH-UHFFFAOYSA-N
MW372.17 g/mol
LogP3.10
Rot. Bonds4

About [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (PubChem CID 90280116) has the molecular formula C14H12BrF2N3O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
PubChem CID90280116
Molecular FormulaC14H12BrF2N3O2
Molecular Weight372.17 g/mol
Exact Mass371.01
IUPAC Name[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESNc1cnc(C(CNC(=O)O)c2cc(F)cc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrF2N3O2/c15-12-4-10(18)5-19-13(12)11(6-20-14(21)22)7-1-8(16)3-9(17)2-7/h1-5,11,20H,6,18H2,(H,21,22)
InChIKeyFPFNTXJFWMXJLH-UHFFFAOYSA-N
XLogP3.10
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The IUPAC name of [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (CID 90280116) is [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is Nc1cnc(C(CNC(=O)O)c2cc(F)cc(F)c2)c(Br)c1.
What is the InChIKey of [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The InChIKey is FPFNTXJFWMXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O2/c15-12-4-10(18)5-19-13(12)11(6-20-14(21)22)7-1-8(16)3-9(17)2-7/h1-5,11,20H,6,18H2,(H,21,22).
What are the key properties of [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
[2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid has a molecular weight of 372.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 90280116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).