butan-1-ol;5-chloropyridin-2-amine

C9H15ClN2O — CID 174845448

IUPACbutan-1-ol;5-chloropyridin-2-amine
SMILESCCCCO.Nc1ccc(Cl)cn1
InChIInChI=1S/C5H5ClN2.C4H10O/c6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-3H,(H2,7,8);5H,2-4H2,1H3
InChIKeyARJIHCRWYWTQJI-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.10
Rot. Bonds2

About butan-1-ol;5-chloropyridin-2-amine

butan-1-ol;5-chloropyridin-2-amine (PubChem CID 174845448) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is butan-1-ol;5-chloropyridin-2-amine.

Molecular Properties

Compound Namebutan-1-ol;5-chloropyridin-2-amine
PubChem CID174845448
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Namebutan-1-ol;5-chloropyridin-2-amine
SMILESCCCCO.Nc1ccc(Cl)cn1
InChIInChI=1S/C5H5ClN2.C4H10O/c6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-3H,(H2,7,8);5H,2-4H2,1H3
InChIKeyARJIHCRWYWTQJI-UHFFFAOYSA-N
XLogP2.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;5-chloropyridin-2-amine?
The IUPAC name of butan-1-ol;5-chloropyridin-2-amine (CID 174845448) is butan-1-ol;5-chloropyridin-2-amine.
What is the SMILES notation for butan-1-ol;5-chloropyridin-2-amine?
The canonical SMILES for butan-1-ol;5-chloropyridin-2-amine is CCCCO.Nc1ccc(Cl)cn1.
What is the InChIKey of butan-1-ol;5-chloropyridin-2-amine?
The InChIKey is ARJIHCRWYWTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2.C4H10O/c6-4-1-2-5(7)8-3-4;1-2-3-4-5/h1-3H,(H2,7,8);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;5-chloropyridin-2-amine?
butan-1-ol;5-chloropyridin-2-amine has a molecular weight of 202.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;5-chloropyridin-2-amine is sourced from PubChem (CID 174845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).