N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine

C12H9ClF2N2 — CID 102609742

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H9ClF2N2/c13-9-2-1-8(11(14)5-9)6-16-10-3-4-12(15)17-7-10/h1-5,7,16H,6H2
InChIKeyPHRZQUOTKFBNRM-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.63
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine (PubChem CID 102609742) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
PubChem CID102609742
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H9ClF2N2/c13-9-2-1-8(11(14)5-9)6-16-10-3-4-12(15)17-7-10/h1-5,7,16H,6H2
InChIKeyPHRZQUOTKFBNRM-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.63
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-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804043
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
N-[(4-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 114841875
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
CID 114841443

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine (CID 102609742) is N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine is Fc1ccc(NCc2ccc(Cl)cc2F)cn1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is PHRZQUOTKFBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/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-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 254.67 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 102609742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).