N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine

C9H14ClN3O — CID 144632925

IUPACN-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine
SMILESCCC(C)Nc1cc(Cl)ncc1NO
InChIInChI=1S/C9H14ClN3O/c1-3-6(2)12-7-4-9(10)11-5-8(7)13-14/h4-6,13-14H,3H2,1-2H3,(H,11,12)
InChIKeyNYIHTYBSBFOYGL-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine

N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine (PubChem CID 144632925) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine
PubChem CID144632925
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine
SMILESCCC(C)Nc1cc(Cl)ncc1NO
InChIInChI=1S/C9H14ClN3O/c1-3-6(2)12-7-4-9(10)11-5-8(7)13-14/h4-6,13-14H,3H2,1-2H3,(H,11,12)
InChIKeyNYIHTYBSBFOYGL-UHFFFAOYSA-N
XLogP2.75
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
CID 130497605
N-butan-2-yl-2-chloro-5-(2-oxa-6-azaspiro[3.3]heptane-6-carboximidoyl)pyridin-4-amine
CID 144767797
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
N-butan-2-yl-2-chloro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]pyridin-4-amine
CID 167426571
N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
CID 129270998
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide
CID 86089298
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
6-chloro-4-(propylamino)pyridine-3-carboxylic acid
CID 115028932
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine?
The IUPAC name of N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine (CID 144632925) is N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine?
The canonical SMILES for N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine is CCC(C)Nc1cc(Cl)ncc1NO.
What is the InChIKey of N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine?
The InChIKey is NYIHTYBSBFOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-6(2)12-7-4-9(10)11-5-8(7)13-14/h4-6,13-14H,3H2,1-2H3,(H,11,12).
What are the key properties of N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine?
N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine has a molecular weight of 215.68 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine is sourced from PubChem (CID 144632925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).