2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol

C11H17ClN2O — CID 61246447

IUPAC2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O/c1-8(2)5-10(7-15)14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyXHHIOSTYTIOSKQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.55
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol

2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 61246447) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID61246447
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O/c1-8(2)5-10(7-15)14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeyXHHIOSTYTIOSKQ-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
CID 130639953
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242875
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
CID 115468697
2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106194112

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol (CID 61246447) is 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is XHHIOSTYTIOSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)5-10(7-15)14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol?
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).