6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine

C11H10ClN3O3 — CID 61422627

IUPAC6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10ClN3O3/c1-14(6-8-4-5-18-7-8)11-9(15(16)17)2-3-10(12)13-11/h2-5,7H,6H2,1H3
InChIKeyREVUKERHPAOWML-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.87
Rot. Bonds4

About 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine

6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine (PubChem CID 61422627) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
PubChem CID61422627
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10ClN3O3/c1-14(6-8-4-5-18-7-8)11-9(15(16)17)2-3-10(12)13-11/h2-5,7H,6H2,1H3
InChIKeyREVUKERHPAOWML-UHFFFAOYSA-N
XLogP2.87
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.87
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-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 55035481
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
4-[furan-3-ylmethyl(methyl)amino]-3-nitrobenzaldehyde
CID 61422393
4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 61422628
6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80795691
1-[4-[furan-3-ylmethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 47357912
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
1-[5-[furan-3-ylmethyl(methyl)amino]-4-nitrothiophen-2-yl]ethanone
CID 112622993
5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 79075785
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine (CID 61422627) is 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine is CN(Cc1ccoc1)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine?
The InChIKey is REVUKERHPAOWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-14(6-8-4-5-18-7-8)11-9(15(16)17)2-3-10(12)13-11/h2-5,7H,6H2,1H3.
What are the key properties of 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine?
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine has a molecular weight of 267.67 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 61422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).