methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate

C13H12BrN3O2 — CID 113021397

IUPACmethyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2Br)nc1
InChIInChI=1S/C13H12BrN3O2/c1-19-13(18)16-9-6-7-12(15-8-9)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyFQESTLLEECHRGO-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.77
Rot. Bonds3

About methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate

methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate (PubChem CID 113021397) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
PubChem CID113021397
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Namemethyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2Br)nc1
InChIInChI=1S/C13H12BrN3O2/c1-19-13(18)16-9-6-7-12(15-8-9)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyFQESTLLEECHRGO-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-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
1-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113021474

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate (CID 113021397) is methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccccc2Br)nc1.
What is the InChIKey of methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate?
The InChIKey is FQESTLLEECHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-13(18)16-9-6-7-12(15-8-9)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate?
methyl N-[6-(2-bromoanilino)-3-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-[6-(2-bromoanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113021397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).