N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine

C12H9F3N2 — CID 103825883

IUPACN-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(CNc2ccc(F)nc2)c(F)c1
InChIInChI=1S/C12H9F3N2/c13-9-2-1-8(11(14)5-9)6-16-10-3-4-12(15)17-7-10/h1-5,7,16H,6H2
InChIKeyWLHBFWJZWMMJNT-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.11
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine

N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103825883) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
PubChem CID103825883
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(CNc2ccc(F)nc2)c(F)c1
InChIInChI=1S/C12H9F3N2/c13-9-2-1-8(11(14)5-9)6-16-10-3-4-12(15)17-7-10/h1-5,7,16H,6H2
InChIKeyWLHBFWJZWMMJNT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline
CID 43673053
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
N-[(2,4-difluorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43719245

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine (CID 103825883) is N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine is Fc1ccc(CNc2ccc(F)nc2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is WLHBFWJZWMMJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-9-2-1-8(11(14)5-9)6-16-10-3-4-12(15)17-7-10/h1-5,7,16H,6H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine?
N-[(2,4-difluorophenyl)methyl]-6-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-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103825883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).