5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine

C14H14ClN3 — CID 66980472

IUPAC5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine
SMILESNc1ncc([C@@H]2C[C@H]2N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3/c15-10-3-1-2-8(4-10)12-5-9(7-18-14(12)17)11-6-13(11)16/h1-5,7,11,13H,6,16H2,(H2,17,18)/t11-,13+/m0/s1
InChIKeyAYVRWJFJATYUIJ-WCQYABFASA-N
MW259.74 g/mol
LogP2.80
Rot. Bonds2

About 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine

5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine (PubChem CID 66980472) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine
PubChem CID66980472
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine
SMILESNc1ncc([C@@H]2C[C@H]2N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3/c15-10-3-1-2-8(4-10)12-5-9(7-18-14(12)17)11-6-13(11)16/h1-5,7,11,13H,6,16H2,(H2,17,18)/t11-,13+/m0/s1
InChIKeyAYVRWJFJATYUIJ-WCQYABFASA-N
XLogP2.80
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-chlorophenyl)-6-fluoro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45263788
3-chloro-5-(3-chlorophenyl)pyridin-2-amine
CID 168665662
5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
CID 66980585
3-[5-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-3-pyridinyl]aniline;dihydrochloride
CID 45378953
N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
CID 66714686
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
4-(3-chlorophenyl)-2-cyclobutylpyridin-3-amine
CID 132590588
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
(1R)-2-(3-phenylphenyl)cyclopropan-1-amine
CID 20666508
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine?
The IUPAC name of 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine (CID 66980472) is 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine?
The canonical SMILES for 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine is Nc1ncc([C@@H]2C[C@H]2N)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine?
The InChIKey is AYVRWJFJATYUIJ-WCQYABFASA-N. The full InChI is InChI=1S/C14H14ClN3/c15-10-3-1-2-8(4-10)12-5-9(7-18-14(12)17)11-6-13(11)16/h1-5,7,11,13H,6,16H2,(H2,17,18)/t11-,13+/m0/s1.
What are the key properties of 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine?
5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R)-2-aminocyclopropyl]-3-(3-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 66980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).