N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine

C11H16ClN3O — CID 129270998

IUPACN-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
SMILESONc1cnc(Cl)cc1NC1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-11-6-9(10(15-16)7-13-11)14-8-4-2-1-3-5-8/h6-8,15-16H,1-5H2,(H,13,14)
InChIKeyMKRFEGZSGXAQCI-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.28
Rot. Bonds3

About N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine

N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine (PubChem CID 129270998) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
PubChem CID129270998
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
SMILESONc1cnc(Cl)cc1NC1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-11-6-9(10(15-16)7-13-11)14-8-4-2-1-3-5-8/h6-8,15-16H,1-5H2,(H,13,14)
InChIKeyMKRFEGZSGXAQCI-UHFFFAOYSA-N
XLogP3.28
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine?
The IUPAC name of N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine (CID 129270998) is N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine?
The canonical SMILES for N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine is ONc1cnc(Cl)cc1NC1CCCCC1.
What is the InChIKey of N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine?
The InChIKey is MKRFEGZSGXAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-6-9(10(15-16)7-13-11)14-8-4-2-1-3-5-8/h6-8,15-16H,1-5H2,(H,13,14).
What are the key properties of N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine?
N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine has a molecular weight of 241.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine is sourced from PubChem (CID 129270998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).