6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine

C9H13ClN2O — CID 131065257

IUPAC6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
SMILESCOC[C@@H](C)Nc1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-7(6-13-2)11-9-5-3-4-8(10)12-9/h3-5,7H,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyVUWCXJBCFCSITE-SSDOTTSWSA-N
MW200.67 g/mol
LogP2.18
Rot. Bonds4

About 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine

6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine (PubChem CID 131065257) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
PubChem CID131065257
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
SMILESCOC[C@@H](C)Nc1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-7(6-13-2)11-9-5-3-4-8(10)12-9/h3-5,7H,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyVUWCXJBCFCSITE-SSDOTTSWSA-N
XLogP2.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 63586349
5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
CID 103915071
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 86610350
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-N-ethyl-6-N-(4-methoxybutan-2-yl)pyridine-2,6-diamine
CID 80843613
6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195659
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine (CID 131065257) is 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine is COC[C@@H](C)Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine?
The InChIKey is VUWCXJBCFCSITE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(6-13-2)11-9-5-3-4-8(10)12-9/h3-5,7H,6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine?
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine is sourced from PubChem (CID 131065257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).