N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine

C17H11F3N2O — CID 59588914

IUPACN-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine
SMILESFc1ccc(Oc2ccc(Nc3ccc(F)c(F)c3)nc2)cc1
InChIInChI=1S/C17H11F3N2O/c18-11-1-4-13(5-2-11)23-14-6-8-17(21-10-14)22-12-3-7-15(19)16(20)9-12/h1-10H,(H,21,22)
InChIKeyPLRWUZFGTHQOQX-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.03
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine

N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine (PubChem CID 59588914) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine
PubChem CID59588914
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC NameN-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine
SMILESFc1ccc(Oc2ccc(Nc3ccc(F)c(F)c3)nc2)cc1
InChIInChI=1S/C17H11F3N2O/c18-11-1-4-13(5-2-11)23-14-6-8-17(21-10-14)22-12-3-7-15(19)16(20)9-12/h1-10H,(H,21,22)
InChIKeyPLRWUZFGTHQOQX-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
Bisanilinopyrimidine, 6f
CID 70702137
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
5-(Difluoromethoxy)pyridin-2-amine
CID 14665029
2,4-Bis anilino pyrimidine deriv. 2
CID 6538986
2,4-Bisanilinopyrimidine, 29
CID 44224084
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine (CID 59588914) is N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine is Fc1ccc(Oc2ccc(Nc3ccc(F)c(F)c3)nc2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine?
The InChIKey is PLRWUZFGTHQOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-11-1-4-13(5-2-11)23-14-6-8-17(21-10-14)22-12-3-7-15(19)16(20)9-12/h1-10H,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine?
N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine has a molecular weight of 316.28 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine is sourced from PubChem (CID 59588914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).