6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine

C11H14ClN3O3 — CID 113346443

IUPAC6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2CCCCO2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-5-8(15(16)17)6-11(14-10)13-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H,13,14)
InChIKeyMAVPFUJDEGRBDQ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.62
Rot. Bonds4

About 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine

6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 113346443) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID113346443
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2CCCCO2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-5-8(15(16)17)6-11(14-10)13-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H,13,14)
InChIKeyMAVPFUJDEGRBDQ-UHFFFAOYSA-N
XLogP2.62
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 103990720
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
3-chloro-5-nitro-2-(oxan-2-ylmethylamino)benzoic acid
CID 107190460
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
CID 103889009
5-nitro-3-N-(oxolan-2-ylmethyl)-1-N-propylbenzene-1,3-diamine
CID 80772498
3-nitro-6-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 113346443) is 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCC2CCCCO2)c1.
What is the InChIKey of 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is MAVPFUJDEGRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-10-5-8(15(16)17)6-11(14-10)13-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H,13,14).
What are the key properties of 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 113346443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).