N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine

C13H11F2N3O2 — CID 83267602

IUPACN-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCc2cc(F)ccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O2/c1-8-6-16-13(5-12(8)18(19)20)17-7-9-4-10(14)2-3-11(9)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyMRKQIOWYEGWQLA-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine

N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine (PubChem CID 83267602) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
PubChem CID83267602
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCc2cc(F)ccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O2/c1-8-6-16-13(5-12(8)18(19)20)17-7-9-4-10(14)2-3-11(9)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyMRKQIOWYEGWQLA-UHFFFAOYSA-N
XLogP3.19
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10084201
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]phenol
CID 114332551
N-[(4-bromophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266878
N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079923
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133328823

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine (CID 83267602) is N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NCc2cc(F)ccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine?
The InChIKey is MRKQIOWYEGWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8-6-16-13(5-12(8)18(19)20)17-7-9-4-10(14)2-3-11(9)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine?
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine has a molecular weight of 279.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83267602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).