2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile

C14H16ClN3 — CID 107057745

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C14H16ClN3/c15-13-11(7-16)3-4-17-14(13)18-8-12-6-9-1-2-10(12)5-9/h3-4,9-10,12H,1-2,5-6,8H2,(H,17,18)
InChIKeyLWMNGHIMSPFONP-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.45
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile

2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile (PubChem CID 107057745) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
PubChem CID107057745
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C14H16ClN3/c15-13-11(7-16)3-4-17-14(13)18-8-12-6-9-1-2-10(12)5-9/h3-4,9-10,12H,1-2,5-6,8H2,(H,17,18)
InChIKeyLWMNGHIMSPFONP-UHFFFAOYSA-N
XLogP3.45
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80712422
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
N-(2-bicyclo[2.2.1]heptanylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731485
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
3-chloro-2-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-4-carbonitrile
CID 114132665
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62734597

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile (CID 107057745) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(NCC2CC3CCC2C3)c1Cl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile?
The InChIKey is LWMNGHIMSPFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-11(7-16)3-4-17-14(13)18-8-12-6-9-1-2-10(12)5-9/h3-4,9-10,12H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile has a molecular weight of 261.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).