N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine

C12H12F3N3 — CID 21221267

IUPACN-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
SMILESCNc1cncc(C(F)(F)F)c1.c1ccncc1
InChIInChI=1S/C7H7F3N2.C5H5N/c1-11-6-2-5(3-12-4-6)7(8,9)10;1-2-4-6-5-3-1/h2-4,11H,1H3;1-5H
InChIKeyBRVJNFCFAUXOLY-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.22
Rot. Bonds1

About N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine

N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine (PubChem CID 21221267) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
PubChem CID21221267
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
SMILESCNc1cncc(C(F)(F)F)c1.c1ccncc1
InChIInChI=1S/C7H7F3N2.C5H5N/c1-11-6-2-5(3-12-4-6)7(8,9)10;1-2-4-6-5-3-1/h2-4,11H,1H3;1-5H
InChIKeyBRVJNFCFAUXOLY-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Rivanicline
CID 5310967
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
Bis(2-pyridylmethyl)amine
CID 73759
Bis[(3-pyridyl)methyl]amine
CID 74257
1-(4-Pyridyl)piperazine
CID 70517
1-(2-Pyridyl)-2-(3-pyridyl)-ethylene
CID 5374801
N-Phenyl-2-pyridinemethanamine
CID 78027
N-(pyridin-3-ylmethyl)aniline
CID 1082702
1-(Pyridin-3-yl)piperazine
CID 437234
1-Methyl-4-(pyridin-3-yl)piperazine
CID 10058072
N-(4-Fluorophenyl)-3-pyridinemethanamine
CID 645683

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine?
The IUPAC name of N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine (CID 21221267) is N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine?
The canonical SMILES for N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine is CNc1cncc(C(F)(F)F)c1.c1ccncc1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine?
The InChIKey is BRVJNFCFAUXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C5H5N/c1-11-6-2-5(3-12-4-6)7(8,9)10;1-2-4-6-5-3-1/h2-4,11H,1H3;1-5H.
What are the key properties of N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine?
N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine has a molecular weight of 255.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine is sourced from PubChem (CID 21221267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).