2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine

C14H16N4 — CID 158079207

IUPAC2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine
SMILESN#CCc1cccnc1.NCCc1cccnc1
InChIInChI=1S/C7H10N2.C7H6N2/c2*8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2;1-2,5-6H,3H2
InChIKeyFMSYJYIXIMLQQR-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.73
Rot. Bonds3

About 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine

2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine (PubChem CID 158079207) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine
PubChem CID158079207
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine
SMILESN#CCc1cccnc1.NCCc1cccnc1
InChIInChI=1S/C7H10N2.C7H6N2/c2*8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2;1-2,5-6H,3H2
InChIKeyFMSYJYIXIMLQQR-UHFFFAOYSA-N
XLogP1.73
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylacetonitrile;pyridine
CID 22283000
16-pyridin-3-ylhexadec-7-yn-1-amine
CID 10448383
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
argon;2-pyridin-3-ylethanol
CID 159015973
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
2-(4-pyridin-3-yloxyphenyl)ethanamine
CID 63815033
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine?
The IUPAC name of 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine (CID 158079207) is 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine?
The canonical SMILES for 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine is N#CCc1cccnc1.NCCc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine?
The InChIKey is FMSYJYIXIMLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H6N2/c2*8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2;1-2,5-6H,3H2.
What are the key properties of 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine?
2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine has a molecular weight of 240.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylacetonitrile;2-pyridin-3-ylethanamine is sourced from PubChem (CID 158079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).