3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

C12H7Cl3F2N2 — CID 102750719

IUPAC3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C12H7Cl3F2N2/c13-7-4-8(14)12(19-11(7)15)18-5-6-1-2-9(16)10(17)3-6/h1-4H,5H2,(H,18,19)
InChIKeyKGDXLPHAXORZCG-UHFFFAOYSA-N
MW323.56 g/mol
LogP4.93
Rot. Bonds3

About 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 102750719) has the molecular formula C12H7Cl3F2N2 and a molecular weight of 323.56 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
PubChem CID102750719
Molecular FormulaC12H7Cl3F2N2
Molecular Weight323.56 g/mol
Exact Mass321.96
IUPAC Name3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C12H7Cl3F2N2/c13-7-4-8(14)12(19-11(7)15)18-5-6-1-2-9(16)10(17)3-6/h1-4H,5H2,(H,18,19)
InChIKeyKGDXLPHAXORZCG-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.56
LogP ≤ 54.93
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

3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
[4-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114156926
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
N-(1,3-benzodioxol-5-ylmethyl)-3,5,6-trichloropyridin-2-amine
CID 102751013
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (CID 102750719) is 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is KGDXLPHAXORZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F2N2/c13-7-4-8(14)12(19-11(7)15)18-5-6-1-2-9(16)10(17)3-6/h1-4H,5H2,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 323.56 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102750719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).