4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate

C17H14Br2N4O2 — CID 158773568

IUPAC4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate
SMILESNc1cc(Br)ccn1.O=C(Nc1cc(Br)ccn1)Oc1ccccc1
InChIInChI=1S/C12H9BrN2O2.C5H5BrN2/c13-9-6-7-14-11(8-9)15-12(16)17-10-4-2-1-3-5-10;6-4-1-2-8-5(7)3-4/h1-8H,(H,14,15,16);1-3H,(H2,7,8)
InChIKeyIQELKBGFVPBQSD-UHFFFAOYSA-N
MW466.13 g/mol
LogP4.88
Rot. Bonds2

About 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate

4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate (PubChem CID 158773568) has the molecular formula C17H14Br2N4O2 and a molecular weight of 466.13 g/mol. Its IUPAC name is 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate.

Molecular Properties

Compound Name4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate
PubChem CID158773568
Molecular FormulaC17H14Br2N4O2
Molecular Weight466.13 g/mol
Exact Mass463.95
IUPAC Name4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate
SMILESNc1cc(Br)ccn1.O=C(Nc1cc(Br)ccn1)Oc1ccccc1
InChIInChI=1S/C12H9BrN2O2.C5H5BrN2/c13-9-6-7-14-11(8-9)15-12(16)17-10-4-2-1-3-5-10;6-4-1-2-8-5(7)3-4/h1-8H,(H,14,15,16);1-3H,(H2,7,8)
InChIKeyIQELKBGFVPBQSD-UHFFFAOYSA-N
XLogP4.88
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
(3-methoxyphenyl) N-pyridin-2-ylcarbamate
CID 102435207
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate?
The IUPAC name of 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate (CID 158773568) is 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate.
What is the SMILES notation for 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate?
The canonical SMILES for 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate is Nc1cc(Br)ccn1.O=C(Nc1cc(Br)ccn1)Oc1ccccc1.
What is the InChIKey of 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate?
The InChIKey is IQELKBGFVPBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2.C5H5BrN2/c13-9-6-7-14-11(8-9)15-12(16)17-10-4-2-1-3-5-10;6-4-1-2-8-5(7)3-4/h1-8H,(H,14,15,16);1-3H,(H2,7,8).
What are the key properties of 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate?
4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate has a molecular weight of 466.13 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate is sourced from PubChem (CID 158773568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).