6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

C11H14ClN3O3 — CID 61435734

IUPAC6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCO1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-14(7-8-3-2-6-18-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyTXGJUFOGLKKNOQ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.26
Rot. Bonds4

About 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 61435734) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID61435734
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCO1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-14(7-8-3-2-6-18-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyTXGJUFOGLKKNOQ-UHFFFAOYSA-N
XLogP2.26
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
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-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 113456796
N-methyl-2,6-dinitro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 154139960
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 61431591
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
CID 80859627
N,2-dimethyl-8-nitro-N-(oxan-2-ylmethyl)quinolin-4-amine
CID 133436864
N-methyl-4-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 671903
3-fluoro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82846972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 61435734) is 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is CN(CC1CCCO1)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is TXGJUFOGLKKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-14(7-8-3-2-6-18-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61435734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).