(3-amino-6-bromo-2-pyridinyl) formate

C6H5BrN2O2 — CID 121338217

IUPAC(3-amino-6-bromo-2-pyridinyl) formate
SMILESNc1ccc(Br)nc1OC=O
InChIInChI=1S/C6H5BrN2O2/c7-5-2-1-4(8)6(9-5)11-3-10/h1-3H,8H2
InChIKeyLBHNLVNXHJTDFM-UHFFFAOYSA-N
MW217.02 g/mol
LogP0.96
Rot. Bonds2

About (3-amino-6-bromo-2-pyridinyl) formate

(3-amino-6-bromo-2-pyridinyl) formate (PubChem CID 121338217) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is (3-amino-6-bromo-2-pyridinyl) formate.

Molecular Properties

Compound Name(3-amino-6-bromo-2-pyridinyl) formate
PubChem CID121338217
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name(3-amino-6-bromo-2-pyridinyl) formate
SMILESNc1ccc(Br)nc1OC=O
InChIInChI=1S/C6H5BrN2O2/c7-5-2-1-4(8)6(9-5)11-3-10/h1-3H,8H2
InChIKeyLBHNLVNXHJTDFM-UHFFFAOYSA-N
XLogP0.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxypyridin-3-amine
CID 593005
6-Bromo-2-methoxypyridin-3-amine
CID 10536137
2-Bromo-6-methoxypyridin-3-amine
CID 15209324
tert-butyl N-(2-bromo-6-methoxypyridin-3-yl)carbamate
CID 121223064
methyl N-[6-bromo-2-(trifluoromethoxy)pyridin-3-yl]carbamate
CID 121278855
N-(2-(Trifluoromethoxy)-5-bromo-6-methoxy-3-pyridyl)carbamic acid methyl ester
CID 121278921
N-(2-Bromo-6-methoxypyridin-3-yl)-2,2,2-trifluoro-acetamide
CID 74891288
2-Bromo-6-(difluoromethoxy)pyridin-3-amine
CID 86652216
5-Bromo-6-methoxy-2-(trifluoromethoxy)pyridin-3-amine
CID 121269848
[6-Bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid
CID 121278856
6-Bromo-2-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 124154927
5-Bromo-6-methyl-2-(trifluoromethoxy)pyridin-3-amine
CID 131053168

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-bromo-2-pyridinyl) formate?
The IUPAC name of (3-amino-6-bromo-2-pyridinyl) formate (CID 121338217) is (3-amino-6-bromo-2-pyridinyl) formate.
What is the SMILES notation for (3-amino-6-bromo-2-pyridinyl) formate?
The canonical SMILES for (3-amino-6-bromo-2-pyridinyl) formate is Nc1ccc(Br)nc1OC=O.
What is the InChIKey of (3-amino-6-bromo-2-pyridinyl) formate?
The InChIKey is LBHNLVNXHJTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c7-5-2-1-4(8)6(9-5)11-3-10/h1-3H,8H2.
What are the key properties of (3-amino-6-bromo-2-pyridinyl) formate?
(3-amino-6-bromo-2-pyridinyl) formate has a molecular weight of 217.02 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-bromo-2-pyridinyl) formate is sourced from PubChem (CID 121338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).