1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine

C13H12F3N3 — CID 168750210

IUPAC1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine
SMILESFc1cccnc1CNCc1ccc(C(F)F)cn1
InChIInChI=1S/C13H12F3N3/c14-11-2-1-5-18-12(11)8-17-7-10-4-3-9(6-19-10)13(15)16/h1-6,13,17H,7-8H2
InChIKeyJDCBCZAQICWLDH-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.84
Rot. Bonds5

About 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine

1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine (PubChem CID 168750210) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine
PubChem CID168750210
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine
SMILESFc1cccnc1CNCc1ccc(C(F)F)cn1
InChIInChI=1S/C13H12F3N3/c14-11-2-1-5-18-12(11)8-17-7-10-4-3-9(6-19-10)13(15)16/h1-6,13,17H,7-8H2
InChIKeyJDCBCZAQICWLDH-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115757243
N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine
CID 115757254
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
1-(3-fluoro-2-pyridinyl)-N-methylpropan-2-amine
CID 63199828
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 75441618
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine (CID 168750210) is 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine is Fc1cccnc1CNCc1ccc(C(F)F)cn1.
What is the InChIKey of 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine?
The InChIKey is JDCBCZAQICWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-11-2-1-5-18-12(11)8-17-7-10-4-3-9(6-19-10)13(15)16/h1-6,13,17H,7-8H2.
What are the key properties of 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine?
1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 168750210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).