(3-chloro-2-pyridinyl)-methylazanium

C6H8ClN2+ — CID 144971363

IUPAC(3-chloro-2-pyridinyl)-methylazanium
SMILESC[NH2+]c1ncccc1Cl
InChIInChI=1S/C6H7ClN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)/p+1
InChIKeyURNJJUZDJRFLQW-UHFFFAOYSA-O
MW143.60 g/mol
LogP0.56
Rot. Bonds1

About (3-chloro-2-pyridinyl)-methylazanium

(3-chloro-2-pyridinyl)-methylazanium (PubChem CID 144971363) has the molecular formula C6H8ClN2+ and a molecular weight of 143.60 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-methylazanium.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-methylazanium
PubChem CID144971363
Molecular FormulaC6H8ClN2+
Molecular Weight143.60 g/mol
Exact Mass143.04
IUPAC Name(3-chloro-2-pyridinyl)-methylazanium
SMILESC[NH2+]c1ncccc1Cl
InChIInChI=1S/C6H7ClN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)/p+1
InChIKeyURNJJUZDJRFLQW-UHFFFAOYSA-O
XLogP0.56
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.60
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
azane;2,3-dichloropyridine
CID 174689212
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
3-chloro-2-methylpyridine;formaldehyde
CID 175449044
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
8-chloroquinoline;ethane
CID 142246255
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
2,3-dichloro-4-methylpyridine;2,3-dichloropyridine
CID 158187016
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
azane;1,2-dichlorobenzene
CID 70584322
3-chloropyridine-2-carbonyl chloride
CID 45081497

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-methylazanium?
The IUPAC name of (3-chloro-2-pyridinyl)-methylazanium (CID 144971363) is (3-chloro-2-pyridinyl)-methylazanium.
What is the SMILES notation for (3-chloro-2-pyridinyl)-methylazanium?
The canonical SMILES for (3-chloro-2-pyridinyl)-methylazanium is C[NH2+]c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-methylazanium?
The InChIKey is URNJJUZDJRFLQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7ClN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)/p+1.
What are the key properties of (3-chloro-2-pyridinyl)-methylazanium?
(3-chloro-2-pyridinyl)-methylazanium has a molecular weight of 143.60 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-methylazanium is sourced from PubChem (CID 144971363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).