2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol

C8H10BrClN2O — CID 114835661

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN2O/c1-5(4-13)12-8-7(9)2-6(10)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)
InChIKeyNFPYKAQZDUDZRJ-UHFFFAOYSA-N
MW265.54 g/mol
LogP2.29
Rot. Bonds3

About 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol

2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol (PubChem CID 114835661) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
PubChem CID114835661
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN2O/c1-5(4-13)12-8-7(9)2-6(10)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)
InChIKeyNFPYKAQZDUDZRJ-UHFFFAOYSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol (CID 114835661) is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol is CC(CO)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is NFPYKAQZDUDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c1-5(4-13)12-8-7(9)2-6(10)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12).
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol?
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 265.54 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 114835661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).