[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine

C11H16ClN3 — CID 107055229

IUPAC[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCC1CCN(c2nccc(CN)c2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5-7,13H2,1H3
InChIKeyNQNIVEPLWDVZIK-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.04
Rot. Bonds2

About [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine

[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 107055229) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
PubChem CID107055229
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCC1CCN(c2nccc(CN)c2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5-7,13H2,1H3
InChIKeyNQNIVEPLWDVZIK-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61223462
1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
CID 107055177
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
4-ethyl-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine;methane
CID 170581317
[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 107055393
[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 107055512
[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 107055676
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
CID 117045416
[3-chloro-6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285664
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 166915934

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine (CID 107055229) is [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine is CC1CCN(c2nccc(CN)c2Cl)C1.
What is the InChIKey of [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is NQNIVEPLWDVZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-3-5-15(7-8)11-10(12)9(6-13)2-4-14-11/h2,4,8H,3,5-7,13H2,1H3.
What are the key properties of [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
[3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).