(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C13H14ClN5O — CID 120949586

IUPAC(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C13H14ClN5O/c14-10-3-4-12(15-8-10)13(20)19-6-1-2-11(19)9-18-7-5-16-17-18/h3-5,7-8,11H,1-2,6,9H2/t11-/m0/s1
InChIKeyBRVFFYTZFOAOKV-NSHDSACASA-N
MW291.74 g/mol
LogP1.63
Rot. Bonds3

About (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 120949586) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID120949586
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C13H14ClN5O/c14-10-3-4-12(15-8-10)13(20)19-6-1-2-11(19)9-18-7-5-16-17-18/h3-5,7-8,11H,1-2,6,9H2/t11-/m0/s1
InChIKeyBRVFFYTZFOAOKV-NSHDSACASA-N
XLogP1.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472239
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949625
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949596
[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 99856614
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949540
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 120949586) is (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cn1)N1CCC[C@H]1Cn1ccnn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BRVFFYTZFOAOKV-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-3-4-12(15-8-10)13(20)19-6-1-2-11(19)9-18-7-5-16-17-18/h3-5,7-8,11H,1-2,6,9H2/t11-/m0/s1.
What are the key properties of (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 291.74 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120949586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).