N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline

C12H8ClF3N2 — CID 163207536

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
SMILESFc1ccc(NCc2ccc(Cl)nc2)c(F)c1F
InChIInChI=1S/C12H8ClF3N2/c13-10-4-1-7(6-18-10)5-17-9-3-2-8(14)11(15)12(9)16/h1-4,6,17H,5H2
InChIKeyVNIOZBBRTDUWMV-UHFFFAOYSA-N
MW272.66 g/mol
LogP3.76
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline

N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline (PubChem CID 163207536) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
PubChem CID163207536
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
SMILESFc1ccc(NCc2ccc(Cl)nc2)c(F)c1F
InChIInChI=1S/C12H8ClF3N2/c13-10-4-1-7(6-18-10)5-17-9-3-2-8(14)11(15)12(9)16/h1-4,6,17H,5H2
InChIKeyVNIOZBBRTDUWMV-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
CID 71978030
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
2-[4-[(6-chloro-3-pyridinyl)methylamino]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 75376703
1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
CID 83338791
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
(6-chloro-3-pyridinyl)methylcarbamodithioic acid
CID 11807317
CID 163533915
CID 163533915
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline (CID 163207536) is N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline is Fc1ccc(NCc2ccc(Cl)nc2)c(F)c1F.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline?
The InChIKey is VNIOZBBRTDUWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c13-10-4-1-7(6-18-10)5-17-9-3-2-8(14)11(15)12(9)16/h1-4,6,17H,5H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline?
N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline has a molecular weight of 272.66 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline is sourced from PubChem (CID 163207536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).