1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea

C8H9BrClN3O — CID 174506409

IUPAC1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea
SMILESNC(=O)N(CCCl)c1cccc(Br)n1
InChIInChI=1S/C8H9BrClN3O/c9-6-2-1-3-7(12-6)13(5-4-10)8(11)14/h1-3H,4-5H2,(H2,11,14)
InChIKeyMJRNWZAQNWUFCN-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.97
Rot. Bonds3

About 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea

1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea (PubChem CID 174506409) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea
PubChem CID174506409
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea
SMILESNC(=O)N(CCCl)c1cccc(Br)n1
InChIInChI=1S/C8H9BrClN3O/c9-6-2-1-3-7(12-6)13(5-4-10)8(11)14/h1-3H,4-5H2,(H2,11,14)
InChIKeyMJRNWZAQNWUFCN-UHFFFAOYSA-N
XLogP1.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
CID 87063962
N-(6-bromo-2-pyridinyl)-N-pent-4-enylacetamide
CID 146314667
[(6-bromo-2-pyridinyl)-methylamino] propanoate
CID 174651940
2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide
CID 58349430
3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 145104975
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107201811
6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 63961116
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
ethyl N-(6-chloro-2-pyridinyl)-N-[3-(dimethylamino)propyl]carbamate
CID 110176773
6-bromo-N-butan-2-yl-N-ethylpyridin-2-amine
CID 63962578
ethyl 6-bromopyridine-2-carboxylate
CID 2758810

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea (CID 174506409) is 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea is NC(=O)N(CCCl)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea?
The InChIKey is MJRNWZAQNWUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-6-2-1-3-7(12-6)13(5-4-10)8(11)14/h1-3H,4-5H2,(H2,11,14).
What are the key properties of 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea?
1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea has a molecular weight of 278.54 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-1-(2-chloroethyl)urea is sourced from PubChem (CID 174506409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).