2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine

C11H10ClN3O3 — CID 114050796

IUPAC2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H10ClN3O3/c1-7-4-9(11(12)14-5-7)13-6-8-2-3-10(18-8)15(16)17/h2-5,13H,6H2,1H3
InChIKeyFSPVNAMIQUWRLX-UHFFFAOYSA-N
MW267.67 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine

2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (PubChem CID 114050796) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
PubChem CID114050796
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H10ClN3O3/c1-7-4-9(11(12)14-5-7)13-6-8-2-3-10(18-8)15(16)17/h2-5,13H,6H2,1H3
InChIKeyFSPVNAMIQUWRLX-UHFFFAOYSA-N
XLogP3.16
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 53.16
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

2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
CID 114050852
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
2-bromo-5-chloro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 81271060
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43786255
methyl 5-chloro-2-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43779971
2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43763852
2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43784052
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43790290
2,3,5-trifluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 62811041
methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43788035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (CID 114050796) is 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is Cc1cnc(Cl)c(NCc2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is FSPVNAMIQUWRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-7-4-9(11(12)14-5-7)13-6-8-2-3-10(18-8)15(16)17/h2-5,13H,6H2,1H3.
What are the key properties of 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 267.67 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 114050796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).