N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine

C14H14FN3O3 — CID 62195386

IUPACN-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C14H14FN3O3/c1-2-16-14-6-3-10(8-17-14)9-21-13-5-4-11(18(19)20)7-12(13)15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyATOMBJZXUGCYRV-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine

N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62195386) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62195386
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C14H14FN3O3/c1-2-16-14-6-3-10(8-17-14)9-21-13-5-4-11(18(19)20)7-12(13)15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyATOMBJZXUGCYRV-UHFFFAOYSA-N
XLogP3.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
N-ethyl-4-[(2-fluoro-4-nitrophenoxy)methyl]thiadiazol-5-amine
CID 62195545
N-ethyl-5-fluoro-4-(2-fluoro-4-nitrophenoxy)pyrimidin-2-amine
CID 80878989
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
N-ethyl-5-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 62194827
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine (CID 62195386) is N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine is CCNc1ccc(COc2ccc([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is ATOMBJZXUGCYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-2-16-14-6-3-10(8-17-14)9-21-13-5-4-11(18(19)20)7-12(13)15/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62195386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).