5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine

C10H13ClN4O2 — CID 71008237

IUPAC5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCNC1
InChIInChI=1S/C10H13ClN4O2/c11-8-3-9(15(16)17)10(14-6-8)13-5-7-1-2-12-4-7/h3,6-7,12H,1-2,4-5H2,(H,13,14)/t7-/m1/s1
InChIKeyBYAYCMWBYLISHO-SSDOTTSWSA-N
MW256.69 g/mol
LogP1.66
Rot. Bonds4

About 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine

5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 71008237) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID71008237
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCNC1
InChIInChI=1S/C10H13ClN4O2/c11-8-3-9(15(16)17)10(14-6-8)13-5-7-1-2-12-4-7/h3,6-7,12H,1-2,4-5H2,(H,13,14)/t7-/m1/s1
InChIKeyBYAYCMWBYLISHO-SSDOTTSWSA-N
XLogP1.66
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
5-nitro-N-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 106749939
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
CID 103821473
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
5-fluoro-2-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]aniline;hydrochloride
CID 66578178
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
[4-[(5-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 170347516
5-nitro-N-(pyrrolidin-3-ylmethyl)isoquinolin-8-amine
CID 103142263
4-nitro-N-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 80563784

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 71008237) is 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine is O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCNC1.
What is the InChIKey of 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is BYAYCMWBYLISHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-8-3-9(15(16)17)10(14-6-8)13-5-7-1-2-12-4-7/h3,6-7,12H,1-2,4-5H2,(H,13,14)/t7-/m1/s1.
What are the key properties of 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 256.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 71008237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).