5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile

C14H13N3 — CID 105409204

IUPAC5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile
SMILESCc1ccc(CN)cc1-c1cncc(C#N)c1
InChIInChI=1S/C14H13N3/c1-10-2-3-11(6-15)5-14(10)13-4-12(7-16)8-17-9-13/h2-5,8-9H,6,15H2,1H3
InChIKeyFWCUHPWJTWEEEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.39
Rot. Bonds2

About 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile

5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile (PubChem CID 105409204) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile
PubChem CID105409204
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile
SMILESCc1ccc(CN)cc1-c1cncc(C#N)c1
InChIInChI=1S/C14H13N3/c1-10-2-3-11(6-15)5-14(10)13-4-12(7-16)8-17-9-13/h2-5,8-9H,6,15H2,1H3
InChIKeyFWCUHPWJTWEEEU-UHFFFAOYSA-N
XLogP2.39
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
4-[5-(aminomethyl)-2-methylphenyl]phenol
CID 82508624
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
(3-isoquinolin-4-yl-4-methylphenyl)methanamine
CID 105408814
4-(5-amino-3-pyridinyl)-3-methylbenzonitrile
CID 68614352
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
CID 82120361
5-[2-[[2-(5-cyano-2-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]methyl]phenyl]pyridine-3-carbonitrile
CID 146538430
(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
5-[15-(5-cyano-3-pyridinyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]pyridine-3-carbonitrile
CID 118398217
lithium;alumane;4-bromo-3-methylbenzonitrile;(4-bromo-3-methylphenyl)methanamine;hydride
CID 158510263
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile (CID 105409204) is 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile is Cc1ccc(CN)cc1-c1cncc(C#N)c1.
What is the InChIKey of 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile?
The InChIKey is FWCUHPWJTWEEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-2-3-11(6-15)5-14(10)13-4-12(7-16)8-17-9-13/h2-5,8-9H,6,15H2,1H3.
What are the key properties of 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile?
5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 105409204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).