1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea

C13H14BrN3O3 — CID 99634846

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1cc(Br)cnc1NC(=O)NC[C@H](O)c1ccco1
InChIInChI=1S/C13H14BrN3O3/c1-8-5-9(14)6-15-12(8)17-13(19)16-7-10(18)11-3-2-4-20-11/h2-6,10,18H,7H2,1H3,(H2,15,16,17,19)/t10-/m0/s1
InChIKeyCCIZMHYAAAFYQY-JTQLQIEISA-N
MW340.18 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea

1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 99634846) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID99634846
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1cc(Br)cnc1NC(=O)NC[C@H](O)c1ccco1
InChIInChI=1S/C13H14BrN3O3/c1-8-5-9(14)6-15-12(8)17-13(19)16-7-10(18)11-3-2-4-20-11/h2-6,10,18H,7H2,1H3,(H2,15,16,17,19)/t10-/m0/s1
InChIKeyCCIZMHYAAAFYQY-JTQLQIEISA-N
XLogP2.60
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea (CID 99634846) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea is Cc1cc(Br)cnc1NC(=O)NC[C@H](O)c1ccco1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is CCIZMHYAAAFYQY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-8-5-9(14)6-15-12(8)17-13(19)16-7-10(18)11-3-2-4-20-11/h2-6,10,18H,7H2,1H3,(H2,15,16,17,19)/t10-/m0/s1.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 340.18 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 99634846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).