(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine

C12H12FN3 — CID 115374873

IUPAC(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc(F)cn2)c1
InChIInChI=1S/C12H12FN3/c1-8-4-9(6-15-5-8)12(14)11-3-2-10(13)7-16-11/h2-7,12H,14H2,1H3
InChIKeyYDCIFYFFHCSSJC-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.97
Rot. Bonds2

About (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine

(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 115374873) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID115374873
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc(F)cn2)c1
InChIInChI=1S/C12H12FN3/c1-8-4-9(6-15-5-8)12(14)11-3-2-10(13)7-16-11/h2-7,12H,14H2,1H3
InChIKeyYDCIFYFFHCSSJC-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722165
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
(5-fluoro-2-pyridinyl)-(4-phenylphenyl)methanamine
CID 79705608
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(5-fluoro-2-pyridinyl)-(4-methoxy-2-methylphenyl)methanamine
CID 79722314
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 83125635

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine (CID 115374873) is (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2ccc(F)cn2)c1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is YDCIFYFFHCSSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-4-9(6-15-5-8)12(14)11-3-2-10(13)7-16-11/h2-7,12H,14H2,1H3.
What are the key properties of (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine?
(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 217.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115374873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).