2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid

C16H17BrN2O3 — CID 69102888

IUPAC2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
SMILESO=C(O)N(CCc1ccc(Br)cc1)C[C@H](O)c1cccnc1
InChIInChI=1S/C16H17BrN2O3/c17-14-5-3-12(4-6-14)7-9-19(16(21)22)11-15(20)13-2-1-8-18-10-13/h1-6,8,10,15,20H,7,9,11H2,(H,21,22)/t15-/m0/s1
InChIKeyPGWJKFDKNWYFPF-HNNXBMFYSA-N
MW365.23 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid

2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid (PubChem CID 69102888) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
PubChem CID69102888
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
SMILESO=C(O)N(CCc1ccc(Br)cc1)C[C@H](O)c1cccnc1
InChIInChI=1S/C16H17BrN2O3/c17-14-5-3-12(4-6-14)7-9-19(16(21)22)11-15(20)13-2-1-8-18-10-13/h1-6,8,10,15,20H,7,9,11H2,(H,21,22)/t15-/m0/s1
InChIKeyPGWJKFDKNWYFPF-HNNXBMFYSA-N
XLogP3.10
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212
[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69053798
2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69456193
2-[4-[3-cyclohexyloxy-4-[2-(methanesulfonamido)-2-oxoethyl]phenyl]phenyl]ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102925
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 151652416
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441
2-[2-cyclohexyloxy-4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]phenyl]acetic acid
CID 69102980
tert-butyl N-[2-[4-(4-formyl-3-phenoxyphenyl)phenyl]ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)carbamate
CID 22171568
2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 110753926
2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid
CID 67194678
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The IUPAC name of 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid (CID 69102888) is 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid.
What is the SMILES notation for 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The canonical SMILES for 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid is O=C(O)N(CCc1ccc(Br)cc1)C[C@H](O)c1cccnc1.
What is the InChIKey of 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The InChIKey is PGWJKFDKNWYFPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-14-5-3-12(4-6-14)7-9-19(16(21)22)11-15(20)13-2-1-8-18-10-13/h1-6,8,10,15,20H,7,9,11H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid has a molecular weight of 365.23 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid is sourced from PubChem (CID 69102888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).