N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine

C12H9F3N2 — CID 114217557

IUPACN-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
SMILESFc1cncc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C12H9F3N2/c13-9-4-10(7-16-6-9)17-5-8-2-1-3-11(14)12(8)15/h1-4,6-7,17H,5H2
InChIKeyCLHWZTVENNCNDB-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.11
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine

N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine (PubChem CID 114217557) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
PubChem CID114217557
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC NameN-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
SMILESFc1cncc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C12H9F3N2/c13-9-4-10(7-16-6-9)17-5-8-2-1-3-11(14)12(8)15/h1-4,6-7,17H,5H2
InChIKeyCLHWZTVENNCNDB-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
CID 113342955
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine (CID 114217557) is N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine is Fc1cncc(NCc2cccc(F)c2F)c1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine?
The InChIKey is CLHWZTVENNCNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-9-4-10(7-16-6-9)17-5-8-2-1-3-11(14)12(8)15/h1-4,6-7,17H,5H2.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine?
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine has a molecular weight of 238.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 114217557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).