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

C12H7Cl4FN2 — CID 102750986

IUPAC3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl4FN2/c13-7-3-6(1-2-10(7)17)5-18-12-9(15)4-8(14)11(16)19-12/h1-4H,5H2,(H,18,19)
InChIKeyFOXAXXJVBZSAJF-UHFFFAOYSA-N
MW340.01 g/mol
LogP5.45
Rot. Bonds3

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

3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 102750986) has the molecular formula C12H7Cl4FN2 and a molecular weight of 340.01 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID102750986
Molecular FormulaC12H7Cl4FN2
Molecular Weight340.01 g/mol
Exact Mass337.93
IUPAC Name3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C12H7Cl4FN2/c13-7-3-6(1-2-10(7)17)5-18-12-9(15)4-8(14)11(16)19-12/h1-4H,5H2,(H,18,19)
InChIKeyFOXAXXJVBZSAJF-UHFFFAOYSA-N
XLogP5.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.01
LogP ≤ 55.45
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-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
[4-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114156926
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
N-(1,3-benzodioxol-5-ylmethyl)-3,5,6-trichloropyridin-2-amine
CID 102751013
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine (CID 102750986) is 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2nc(Cl)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is FOXAXXJVBZSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4FN2/c13-7-3-6(1-2-10(7)17)5-18-12-9(15)4-8(14)11(16)19-12/h1-4H,5H2,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 340.01 g/mol, XLogP of 5.45, 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-chloro-4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102750986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).