methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate

C13H12BrN3O2 — CID 113035990

IUPACmethyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C13H12BrN3O2/c1-19-13(18)17-12-7-6-9(8-15-12)16-11-5-3-2-4-10(11)14/h2-8,16H,1H3,(H,15,17,18)
InChIKeyOYUUSVOLUPIUHG-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.77
Rot. Bonds3

About methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate

methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate (PubChem CID 113035990) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
PubChem CID113035990
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Namemethyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C13H12BrN3O2/c1-19-13(18)17-12-7-6-9(8-15-12)16-11-5-3-2-4-10(11)14/h2-8,16H,1H3,(H,15,17,18)
InChIKeyOYUUSVOLUPIUHG-UHFFFAOYSA-N
XLogP3.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
CID 113035997
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate (CID 113035990) is methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccccc2Br)cn1.
What is the InChIKey of methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate?
The InChIKey is OYUUSVOLUPIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-13(18)17-12-7-6-9(8-15-12)16-11-5-3-2-4-10(11)14/h2-8,16H,1H3,(H,15,17,18).
What are the key properties of methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate?
methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate has a molecular weight of 322.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113035990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).