N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine

C13H10ClF3N2 — CID 65029057

IUPACN-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Nc1ccc(CCl)cc1
InChIInChI=1S/C13H10ClF3N2/c14-8-9-3-5-10(6-4-9)19-12-11(13(15,16)17)2-1-7-18-12/h1-7H,8H2,(H,18,19)
InChIKeyCKKMBRNCIDLRLO-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.58
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine

N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 65029057) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID65029057
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC NameN-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Nc1ccc(CCl)cc1
InChIInChI=1S/C13H10ClF3N2/c14-8-9-3-5-10(6-4-9)19-12-11(13(15,16)17)2-1-7-18-12/h1-7H,8H2,(H,18,19)
InChIKeyCKKMBRNCIDLRLO-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 107867364
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63121097
N-(4-chlorobutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 83188558
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[4-(chloromethyl)phenyl]thieno[3,2-c]pyridin-4-amine
CID 65029006
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763
N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 114179338

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine (CID 65029057) is N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1Nc1ccc(CCl)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CKKMBRNCIDLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-8-9-3-5-10(6-4-9)19-12-11(13(15,16)17)2-1-7-18-12/h1-7H,8H2,(H,18,19).
What are the key properties of N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 286.68 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 65029057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).